Acetic Acid → HCID 59398271, compound
Reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[C:57](=[O:58])([O-:59])[OH:60].[CH3:1][c:2]1[cH:3][c:4](=[O:17])[n:5]([CH2:14][CH:15]=[O:16])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12.[CH3:62][C:63](=[O:64])[OH:65].[CH:66]([Cl:67])([Cl:68])[Cl:69].[Na+:56].[Na+:61].[O:18]1[CH2:19][CH2:20][O:21][c:22]2[c:23]1[cH:24][cH:25][c:26]([CH2:28][N:29]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1)[cH:27]2>>[CH3:1][c:2]1[cH:3][c:4](=[O:17])[n:5]([CH2:14][CH2:15][N:40]2[CH2:39][CH2:38][CH:37]([N:29]([CH2:28][c:26]3[cH:25][cH:24][c:23]4[c:22]([cH:27]3)[O:21][CH2:20][CH2:19][O:18]4)[C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:42][CH2:41]2)[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
8
Sources & evidence
- ORD record
- ord-196882ad2cfe49d39ae2e4f247d90f77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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