Acetic Acid → CI-923
Reaction equation
[CH3:20][CH2:21][NH2:22].[CH3:29][C:30](=[O:31])[OH:32].[Ca+2:23].[O-:24][S:25](=[O:26])(=[O:27])[O-:28].[O:1]=[C:2]([CH2:3][N:4]1[CH2:5][c:6]2[c:7]([c:10]3[c:11]([o:12][c:13]2=[O:14])[cH:15][cH:16][cH:17][cH:18]3)[CH2:8][CH2:9]1)[CH3:19].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[CH:2]([CH2:3][N:4]1[CH2:5][c:6]2[c:7]([c:10]3[c:11]([o:12][c:13]2=[O:14])[cH:15][cH:16][cH:17][cH:18]3)[CH2:8][CH2:9]1)([CH3:19])[NH:22][CH2:21][CH3:20]Participants
7
Sources & evidence
- ORD record
- ord-b6370cf2b0ee493e83a026b475ad42cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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