Water → Trifluoroacetic acid

HRID 141914Notes

Reaction equation

HRID 141914 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]2[CH2:10][CH:11]([CH:16]3[c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]4[O:23][c:24]4[cH:25][c:26]([C:30]([N:31]([CH2:32][CH3:33])[CH2:34][CH3:35])=[NH:36])[cH:27][cH:28][c:29]43)[CH2:12][CH:13]1[CH2:14][CH2:15]2)([CH3:5])([CH3:6])[CH3:7].[Cl:45][CH:46]([Cl:47])[CH3:48].[F:38][C:39]([C:40](=[O:41])[OH:42])([F:43])[F:44].[OH2:37]>>[F:38][C:39]([C:40](=[O:41])[OH:42])([F:43])[F:44].[NH:8]1[CH:9]2[CH2:10][CH:11]([CH:16]3[c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]4[O:23][c:24]4[cH:25][c:26]([C:30]([N:31]([CH2:32][CH3:33])[CH2:34][CH3:35])=[NH:36])[cH:27][cH:28][c:29]43)[CH2:12][CH:13]1[CH2:14][CH2:15]2

Participants

6

Reactant 4

HCID 962WaterHCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 57839231HCID 57839231, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 11653974HCID 11653974, compound

Sources & evidence

ORD record
ord-82570c39b7d546cbabc98a6a1913fcca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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