Acetic Acid → HCID 22644610, compound
Reaction equation
[C:1]([CH3:2])([O:3][BH-:4]([O:5][C:6](=[O:7])[CH3:8])[O:9][C:10](=[O:11])[CH3:12])=[O:13].[CH3:48][C:49](=[O:50])[OH:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:45](=[O:46])[CH3:47].[NH2:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[NH:21][CH:22]([CH3:23])[CH3:24])[cH:25][cH:26][c:27]1[N:28]1[CH2:29][CH2:30][CH:31]([N:34]2[C:35](=[O:44])[O:36][CH2:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[CH2:32][CH2:33]1.[Na+:14].[OH2:57]>>[CH2:1]([CH3:2])[NH:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[NH:21][CH:22]([CH3:23])[CH3:24])[cH:25][cH:26][c:27]1[N:28]1[CH2:29][CH2:30][CH:31]([N:34]2[C:35](=[O:44])[O:36][CH2:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[CH2:32][CH2:33]1Participants
8
Sources & evidence
- ORD record
- ord-0806bac3402b46849b2bc7902c83f348
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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