Acetate → HCID 473918, compound
Reaction equation
[CH3:10][c:11]1[cH:12][c:13]([S:18][c:19]2[c:20]([CH:27]([CH3:28])[CH3:29])[n:21][c:22]([CH:25]=[O:26])[n:23]2[CH3:24])[cH:14][c:15]([CH3:17])[cH:16]1.[CH3:30][CH2:31][OH:32].[CH3:5][C:6](=[O:7])[O-:8].[ClH:1].[NH2:2][OH:3].[Na+:4].[OH2:9]>>[N:2]([OH:3])=[CH:25][c:22]1[n:21][c:20]([CH:27]([CH3:28])[CH3:29])[c:19]([S:18][c:13]2[cH:12][c:11]([CH3:10])[cH:16][c:15]([CH3:17])[cH:14]2)[n:23]1[CH3:24]Participants
8
Sources & evidence
- ORD record
- ord-4aede097d5554cbaa4dbf243c558fe08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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