Acetic Acid → HCID 136420842, compound
Reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]3[c:9](=[O:17])[nH:10][c:11]([CH3:16])[n:12][c:13]3[cH:14][cH:15]2)[cH:18]1.[CH3:48][C:49](=[O:50])[OH:51].[CH3:57][CH2:58][OH:59].[NH2:19][c:20]1[cH:21][c:22]2[c:26]([cH:27][cH:28]1)[C:25](=[O:29])[N:24]([CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:23]2.[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]3[c:9](=[O:17])[nH:10][c:11]([CH3:16])[n:12][c:13]3[cH:14][cH:15]2)[cH:18]1)[NH:19][c:20]1[cH:21][c:22]2[c:26]([cH:27][cH:28]1)[C:25](=[O:29])[N:24]([CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:23]2Participants
8
Sources & evidence
- ORD record
- ord-d2181c3cc50a4ed18770268008ef4f77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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