Methanol → Trifluoroacetic acid

HRID 1565234Notes

Reaction equation

HRID 1565234 reaction equation
[CH3:50][OH:51].[Cl:40][CH2:41][Cl:42].[F:43][C:44]([C:45](=[O:46])[OH:47])([F:48])[F:49].[NH2:52][CH2:53][CH2:54][NH2:55].[c:1]1([S:7][c:8]2[cH:9][c:10]([CH:14]([CH2:15][C:16]#[N:17])[n:18]3[n:19][cH:20][c:21](-[c:23]4[c:24]5[c:25]([n:26][cH:27][n:28]4)[n:29]([CH2:32][O:33][CH2:34][CH2:35][Si:36]([CH3:37])([CH3:38])[CH3:39])[cH:30][cH:31]5)[cH:22]3)[cH:11][n:12][cH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[F:43][C:44]([C:45](=[O:46])[OH:47])([F:48])[F:49].[c:1]1([S:7][c:8]2[cH:9][c:10]([CH:14]([CH2:15][C:16]#[N:17])[n:18]3[n:19][cH:20][c:21](-[c:23]4[c:24]5[c:25]([n:26][cH:27][n:28]4)[nH:29][cH:30][cH:31]5)[cH:22]3)[cH:11][n:12][cH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 5

HCID 887MethanolHCID 3301EthylenediamineHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 57477895HCID 57477895, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 44204732HCID 44204732, compound

Sources & evidence

ORD record
ord-89b3bd2462274cb789265e990fa9860f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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