Acetate → HCID 86204337, compound
Reaction equation
[CH3:27][C:28](=[O:29])[O-:30].[CH3:31][CH2:32][OH:33].[ClH:23].[NH2:1][c:2]1[c:3]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:21][cH:22]2)[cH:4][cH:5][cH:6][cH:7]1.[NH2:24][OH:25].[Na+:26]>>[NH2:1][c:2]1[c:3]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)=[N:24][OH:25])[cH:21][cH:22]2)[cH:4][cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-963d7edbfa814858ae16ede6a0d2eab8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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