Acetic Acid → HCID 178464189, compound
Reaction equation
[C:30](=[O:31])([OH:32])[c:33]1[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39][cH:40]1.[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:1][CH:2]1[N:3]([CH:9]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22]2)[c:23]2[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]2)[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[CH3:41][C:42](=[O:43])[OH:44].[Na+:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH3:1][CH:2]1[N:3]([CH:9]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22]2)[c:23]2[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]2)[CH2:4][CH:5]([CH3:8])[N:6]([CH2:36][c:35]2[cH:34][c:33]([C:30](=[O:31])[OH:32])[cH:40][cH:39][cH:38]2)[CH2:7]1Participants
7
Sources & evidence
- ORD record
- ord-ce19ba99e29d459c8678e0bcadd39528
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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