Acetic Acid → HCID 59558387, compound
Reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[Cl:1][c:2]1[cH:3][c:4](-[c:14]2[n:15][c:16]3[c:21]([cH:22][n:23]2)[CH2:20][CH2:19][CH:18]=[C:17]3[O:24][CH2:25][CH3:26])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1.[Na+:31].[O-:27][C:28]([OH:29])=[O:30]>>[Cl:1][c:2]1[cH:3][c:4](-[c:14]2[n:15][c:16]3[c:21]([cH:22][n:23]2)[CH2:20][CH2:19][CH2:18][C:17]3=[O:24])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1Participants
5
Sources & evidence
- ORD record
- ord-ca450d736d4640a5a73e3d5da6b7240d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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