Dichloromethane → Trifluoroacetic acid

HRID 1129899Notes

Reaction equation

HRID 1129899 reaction equation
[CH3:1][C:2]([N:5]([C:3](=[O:4])[O-:6])[CH2:9][c:10]1[c:11]([F:29])[c:12]([O:17][c:18]2[cH:19][c:20]([C:27]#[N:28])[cH:21][c:22]([CH:24]([F:25])[F:26])[cH:23]2)[c:13]([Cl:16])[cH:14][cH:15]1)([CH3:7])[CH3:8].[Cl:37][CH2:38][Cl:39].[F:30][C:31]([C:32](=[O:33])[OH:34])([F:35])[F:36]>>[F:30][C:31]([C:32](=[O:33])[OH:34])([F:35])[F:36].[NH2:5][CH2:9][c:10]1[c:11]([F:29])[c:12]([O:17][c:18]2[cH:19][c:20]([C:27]#[N:28])[cH:21][c:22]([CH:24]([F:25])[F:26])[cH:23]2)[c:13]([Cl:16])[cH:14][cH:15]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 867616571,1-Dimethylethyl[(4-chloro-3-{[3-cyano-5-(difluoromethyl)phenyl]oxy}-2-fluorophenyl)methyl]carbamate

Product 2

HCID 6422Trifluoroacetic acidHCID 709371393-[3-(Aminomethyl)-6-chloro-2-fluorophenoxy]-5-(difluoromethyl)benzonitrile

Sources & evidence

ORD record
ord-83ee18a4e1fc4d6888571eb1152498be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…