Acetic Acid → HCID 86625167, compound
Reaction equation
[CH2:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:8][C:9](=[O:10])[OH:11].[Cl:18][CH:19]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]1)[c:30]1[n:31][cH:32][c:33]([CH2:36][CH3:37])[cH:34][cH:35]1.[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[CH2:5]1>>[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[C:5]1=[CH:26][c:25]1[cH:24][cH:23][c:22]([O:21][CH2:20][CH:19]([Cl:18])[c:30]2[n:31][cH:32][c:33]([CH2:36][CH3:37])[cH:34][cH:35]2)[cH:29][cH:28]1Participants
6
Sources & evidence
- ORD record
- ord-b9d045516be04bfdb698e6079c8d0afb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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