Water → Trifluoroacetic acid

HRID 697471Notes

Reaction equation

HRID 697471 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[cH:11][c:12](-[c:24]2[c:25]([CH2:33][c:34]3[cH:35][cH:36][c:37]([O:40][CH2:41][CH2:42][N:43]4[C:44](=[O:48])[CH2:45][CH2:46][CH2:47]4)[cH:38][cH:39]3)[c:26]3[c:27]([s:28]2)[cH:29][cH:30][cH:31][cH:32]3)[cH:13][cH:14][c:15]1[O:16][CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1.[CH3:57][O:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[F:49][C:50]([C:51](=[O:52])[OH:53])([F:54])[F:55].[OH2:56]>>[F:49][C:50]([C:51](=[O:52])[OH:53])([F:54])[F:55].[O:5]=[C:6]([OH:7])[CH2:8][O:9][c:10]1[cH:11][c:12](-[c:24]2[c:25]([CH2:33][c:34]3[cH:35][cH:36][c:37]([O:40][CH2:41][CH2:42][N:43]4[C:44](=[O:48])[CH2:45][CH2:46][CH2:47]4)[cH:38][cH:39]3)[c:26]3[c:27]([s:28]2)[cH:29][cH:30][cH:31][cH:32]3)[cH:13][cH:14][c:15]1[O:16][CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1

Participants

6

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 22994333HCID 22994333, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 22994346HCID 22994346, compound

Sources & evidence

ORD record
ord-a9c389756196485bbdaf10ae1a42273f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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