Acetic Acid → HCID 67071234, compound
Reaction equation
[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][NH:28][CH3:29].[CH3:55][C:56](=[O:57])[OH:58].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([CH:19]3[CH2:20][N:21]([CH2:24][CH2:25][CH3:26])[CH2:22][CH2:23]3)[cH:17][cH:18]2)[cH:7][cH:8]1.[Cl:51][CH2:52][Cl:53].[Na+:48].[Na+:50].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH-:49].[OH2:54]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([CH:19]3[CH2:20][N:21]([CH2:24][CH2:25][CH3:26])[CH2:22][CH2:23]3)[cH:17][cH:18]2)[cH:7][cH:8]1)[N:28]([CH3:27])[CH3:29]Participants
10
Sources & evidence
- ORD record
- ord-d1d0c29ab0844907bf6ec37c0635577b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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