Acetic Acid → HCID 57989342, compound

HRID 294103Notes

Reaction equation

HRID 294103 reaction equation
[CH2:1]([O:3][CH:4]([O:2][CH2:35][CH3:36])[CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:10][N:11]2[CH2:12][CH2:13][C:14]3([CH2:15][N:16]([C:20](=[O:21])[c:22]4[n:23][c:24]([CH:27]([CH3:28])[CH3:29])[s:25][cH:26]4)[CH2:17][CH2:18][O:19]3)[CH2:30][CH2:31]2)[cH:32][cH:33][cH:34]1)[CH3:37].[CH3:39][C:40](=[O:41])[OH:42].[OH2:38]>>[O:3]=[CH:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:10][N:11]2[CH2:12][CH2:13][C:14]3([CH2:15][N:16]([C:20](=[O:21])[c:22]4[n:23][c:24]([CH:27]([CH3:28])[CH3:29])[s:25][cH:26]4)[CH2:17][CH2:18][O:19]3)[CH2:30][CH2:31]2)[cH:32][cH:33][cH:34]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 57989302HCID 57989302, compound

Product 1

HCID 57989342HCID 57989342, compound

Sources & evidence

ORD record
ord-1c2bfbf0ff6f4d6dbc6961e921400238
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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