Acetic Acid → HCID 178522942, compound
Reaction equation
[C:1]([c:2]1[nH:3][cH:4][cH:5][n:6]1)([c:7]1[nH:8][cH:9][cH:10][n:11]1)=[O:12].[C:36]([OH:37])(=[O:38])[CH3:39].[Cl:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][NH2:33])[cH:34][cH:35]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH:13][c:14]1[c:15]2[c:16]([n:17][cH:18][c:19]1[C:20](=[O:21])[OH:22])[s:23][c:24]([I:26])[cH:25]2>>[OH:13][c:14]1[c:15]2[c:16]([n:17][cH:18][c:19]1[C:20](=[O:22])[NH:33][CH2:32][c:31]1[cH:30][cH:29][c:28]([Cl:27])[cH:35][cH:34]1)[s:23][c:24]([I:26])[cH:25]2Participants
6
Sources & evidence
- ORD record
- ord-48b4369190b74c7089299809061517e0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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