Acetate → HCID 86754506, compound
Reaction equation
[CH3:40][C:41](=[O:42])[O-:43].[CH3:44][OH:45].[CH:1](=[O:2])[CH2:3][N:4]1[C:5](=[O:35])[C:6]([NH:13][C:14](=[O:15])[NH:16][c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)([CH2:24][C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21.[ClH:36].[NH2:37][OH:38].[Na+:39].[OH2:46]>>[CH:1]([CH2:3][N:4]1[C:5](=[O:35])[C:6]([NH:13][C:14](=[O:15])[NH:16][c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)([CH2:24][C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21)=[N:37][OH:38]Participants
8
Sources & evidence
- ORD record
- ord-680e47df953a4d6780f6570c673c2727
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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