Acetic Acid → HCID 69048206, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[c:9]1[c:10]([N+:23](=[O:24])[O-:25])[cH:11][cH:12][c:13]([O:15][c:16]2[cH:17][c:18]([NH2:22])[cH:19][cH:20][cH:21]2)[cH:14]1)=[O:26].[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:27][C:28]([CH3:29])=[O:30].[CH3:31][C:32](=[O:33])[OH:34].[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[c:9]1[c:10]([N+:23](=[O:24])[O-:25])[cH:11][cH:12][c:13]([O:15][c:16]2[cH:17][c:18]([NH:22][CH:28]([CH3:27])[CH3:29])[cH:19][cH:20][cH:21]2)[cH:14]1)=[O:26]Participants
7
Sources & evidence
- ORD record
- ord-0b5a1946f48846f6b3d33fcf3fd236a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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