Water → HCID 178439710, compound

HRID 1230484Notes

Reaction equation

HRID 1230484 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:39])[c:6]([CH2:36][CH2:37][CH3:38])[c:7]([O:8][CH2:9][CH2:10][CH2:11][S:12][c:13]2[n:14][c:15]([NH:18][C:19]([CH2:20][C:21](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][c:28]([O:29][CH3:30])[cH:31][cH:32]3)=[O:33])[n:16][nH:17]2)[cH:34][cH:35]1.[CH3:48][O:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[OH2:40].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:39])[c:6]([CH2:36][CH2:37][CH3:38])[c:7]([O:8][CH2:9][CH2:10][CH2:11][S:12][c:13]2[n:14][c:15]([NH:18][C:19]([CH2:20][C:21](=[O:22])[OH:23])=[O:33])[n:16][nH:17]2)[cH:34][cH:35]1

Participants

5

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 178439709HCID 178439709, compound

Product 1

HCID 178439710HCID 178439710, compound

Sources & evidence

ORD record
ord-615ef80cddfb4878abad0eba87ca9b9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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