Acetic Acid → HCID 178497239, compound
Reaction equation
[C:56]([OH:57])(=[O:58])[CH3:59].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:37][N:38]([C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH2:46][CH:47]=[O:48].[CH3:49][OH:50].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:33](=[O:34])[O:35][CH3:36])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][cH:24][cH:23][cH:22]2)[O:18][CH2:17][CH:16]([O:26][CH2:27][CH:28]2[NH:29][CH2:30][CH2:31][CH2:32]2)[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:33](=[O:34])[O:35][CH3:36])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][cH:24][cH:23][cH:22]2)[O:18][CH2:17][CH:16]([O:26][CH2:27][CH:28]2[N:29]([CH2:47][CH2:46][N:38]([CH3:37])[C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH2:30][CH2:31][CH2:32]2)[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-7b0ba841cf3d4af8a2c3475ee10a6c4a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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