Acetic Acid → HCID 178484651, compound
Reaction equation
[CH3:33][N:34]([C:35]([CH2:36][OH:37])=[O:38])[CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[OH2:49].[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[c:7]([S:12][c:13]2[c:14]([NH:19][C:20](=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:26][CH2:27][C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:8][cH:9][cH:10][cH:11]1>>[n:1]1[n:2][n:3][nH:4][c:5]1-[c:6]1[c:7]([S:12][c:13]2[c:14]([NH:19][C:20](=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:26][CH2:27][C:28](=[O:29])[O:30][CH2:36][C:35]([N:34]([CH3:33])[CH3:39])=[O:38])[cH:31][cH:32]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:8][cH:9][cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-3116711cf15344c0a87f606ed7c55d05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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