Toluene → Trifluoroacetic acid

HRID 1239162Notes

Reaction equation

HRID 1239162 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([C:31]([NH:32][CH2:33][CH:34]([CH3:35])[CH3:36])=[O:37])[N:11]([C:14]([CH:15]([CH:16]([CH2:17][CH3:18])[C:19]([NH:20][OH:21])=[O:22])[c:23]2[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)=[O:30])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:52][CH2:53][Cl:54].[F:38][C:39]([C:40](=[O:41])[OH:42])([F:43])[F:44]>>[F:38][C:39]([C:40](=[O:41])[OH:42])([F:43])[F:44].[NH:8]1[CH2:9][CH:10]([C:31]([NH:32][CH2:33][CH:34]([CH3:35])[CH3:36])=[O:37])[N:11]([C:14]([CH:15]([CH:16]([CH2:17][CH3:18])[C:19]([NH:20][OH:21])=[O:22])[c:23]2[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)=[O:30])[CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178454603HCID 178454603, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178454602HCID 178454602, compound

Sources & evidence

ORD record
ord-aa3adec0987147859372570be033f501
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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