Acetic Acid → HCID 19887363, compound
Reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][C:37]([O:38][C:39](=[O:40])[CH3:41])=[O:42].[c:1]1([C:7](=[CH:8][CH2:9][N:10]2[CH2:11][CH2:12][C:13]3([C:14]([CH3:22])([OH:23])[N:15]([CH2:19][CH2:20][CH3:21])[C:16](=[O:18])[O:17]3)[CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7](=[CH:8][CH2:9][N:10]2[CH2:11][CH2:12][C:13]3([C:14](=[CH2:22])[N:15]([CH2:19][CH2:20][CH3:21])[C:16](=[O:18])[O:17]3)[CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-9eba0b11341643d986d25fb7be542029
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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