Acetic Acid → HCID 178478154, compound
Reaction equation
[CH3:19][C:20](=[O:21])[OH:22].[CH3:30][OH:31].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12.[o:23]1[cH:24][c:25]([CH:28]=[O:29])[cH:26][cH:27]1>>[N:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)=[CH:28][c:25]1[cH:24][o:23][cH:27][cH:26]1Participants
5
Sources & evidence
- ORD record
- ord-dfad8138e41047f68b891a77e22eefb8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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