Acetic Acid → HCID 59397821, compound
Reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([N:29]([CH:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1)[CH2:36][c:37]1[cH:38][c:39]2[c:40]([cH:45][cH:46]1)[O:41][CH2:42][CH2:43][O:44]2)=[O:47].[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[C:62](=[O:63])([O-:64])[OH:65].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:22])[n:12]([CH2:19][CH:20]=[O:21])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12.[CH3:67][C:68](=[O:69])[OH:70].[Cl:71][CH2:72][Cl:73].[Na+:61].[Na+:66]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:22])[n:12]([CH2:19][CH2:20][N:33]2[CH2:32][CH2:31][CH:30]([N:29]([C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:47])[CH2:36][c:37]3[cH:38][c:39]4[c:40]([cH:45][cH:46]3)[O:41][CH2:42][CH2:43][O:44]4)[CH2:35][CH2:34]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12Participants
8
Sources & evidence
- ORD record
- ord-7ba850a6f8cc44c9901d834568c625a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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