Acetic Acid → HCID 12408801, compound

Reaction equation

[CH3:24][C:25](=[O:26])[O:27][C:28](=[O:29])[CH3:30].[CH3:31][C:32](=[O:33])[OH:34].[NH2:1][c:2]1[c:3]([C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[c:4]([O:11][CH2:12][CH2:13][CH2:14][CH3:15])[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[OH2:35]>>[NH:1]([c:2]1[c:3]([C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[c:4]([O:11][CH2:12][CH2:13][CH2:14][CH3:15])[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10]1)[C:25]([CH3:24])=[O:26]

Participants

Reactant 4

HCID 176Acetic Acid

HCID 962Water

HCID 7918Acetic Anhydride

HCID 12408786HCID 12408786, compound

Product 1

HCID 12408801HCID 12408801, compound

Sources & evidence

ORD record: ord-abe3baa70a584db6a1238ffbb40393e0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…