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Table 6 Predicted reaction conditions for the Friedel-Crafts alkylation illustrated in Fig. 6B

From: Enhancing chemical synthesis: a two-stage deep neural network for predicting feasible reaction conditions

Rank

Reagent(s)

Solvent(s)

Temperature (\(^{\circ }{} {\textbf {C}}\))

1(\(\checkmark \))

Silver trifluoromethanesulfonate

Acetonitrile

16.6

2

Trimethylsilyl trifluoromethanesulfonate

Dichloromethane

14.3

3

Silver trifluoromethanesulfonate

Dichloromethane

11.2

4

Trimethylsilyl trifluoromethanesulfonate

Acetonitrile

15.9

5(\(\checkmark \))

Bismuth(III) trifluoromethanesulfonate

Acetonitrile

19.4

6

Bismuth(III) trifluoromethanesulfonate

Dichloromethane

19.4

7

Trimethylsilyl trifluoromethanesulfonate

Acetonitrile; dichloromethane

13.6

8

Silver trifluoromethanesulfonate

Acetonitrile; dichloromethane

11.9

9

Bismuth(III) trifluoromethanesulfonate; trimethylsilyl trifluoromethanesulfonate

Dichloromethane

17.0

10

Bismuth(III) trifluoromethanesulfonate; silver trifluoromethanesulfonate

Dichloromethane

14.2