Acetic Acid → HCID 10238792, compound
Reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[n:14][cH:15][c:16]([Cl:35])[n:17][c:18]2[O:19][CH2:20][c:21]2[cH:22][c:23]([CH2:27][O:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][O:34]3)[cH:24][cH:25][cH:26]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8].[OH2:40]>>[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[n:14][cH:15][c:16]([Cl:35])[n:17][c:18]2[O:19][CH2:20][c:21]2[cH:22][c:23]([CH2:27][OH:28])[cH:24][cH:25][cH:26]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8]Participants
4
Sources & evidence
- ORD record
- ord-863f680b8b364568b8cfd8fc3b796bda
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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