Acetic Acid → HCID 53239586, compound
Reaction equation
[C:47]([OH:48])(=[O:49])[CH3:50].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:51][OH:52].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][cH:8][c:9]([Cl:27])[cH:10][c:11]2[NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[c:28]([Cl:32])[cH:29][cH:30][cH:31]1.[Na+:41].[OH-:40].[Si:33]([CH3:34])([CH3:35])([CH3:36])[N:37]=[C:38]=[O:39]>>[NH:1]1[c:2]2[c:3]([c:28]([Cl:32])[cH:29][cH:30][cH:31]2)[CH:4]([c:6]2[n:7][cH:8][c:9]([Cl:27])[cH:10][c:11]2[NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[NH:37][C:38]1=[O:39]Participants
8
Sources & evidence
- ORD record
- ord-9d752a8f6a2446fea45b6f42e503de53
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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