Toluene → Trifluoroacetic acid

HRID 106167Notes

Reaction equation

HRID 106167 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][c:18](=[O:25])[n:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[s:20]2)[cH:14][cH:15]1)[C:26]([NH2:27])=[O:28])([CH3:5])([CH3:6])[CH3:29].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cl:44][CH2:45][Cl:46].[F:37][C:38]([C:39](=[O:40])[OH:41])([F:42])[F:43]>>[F:37][C:38]([C:39](=[O:40])[OH:41])([F:42])[F:43].[NH2:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][c:18](=[O:25])[n:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[s:20]2)[cH:14][cH:15]1)[C:26]([NH2:27])=[O:28]

Participants

6

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 58746857HCID 58746857, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178448770HCID 178448770, compound

Sources & evidence

ORD record
ord-f35a69cd7a2246e79f5b7e72ece8c2d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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