Acetic Acid → HCID 69156907, compound
Reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]1[CH2:24][CH2:25][C:26](=[O:29])[CH2:27][CH2:28]1.[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[c:8]([NH2:14])[cH:9][cH:10][c:11]([Cl:13])[cH:12]1)=[O:15].[CH3:44][C:45](=[O:46])[OH:47].[Cl:53][CH2:54][Cl:55].[Na+:43].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[c:8]([NH:14][CH:26]2[CH2:25][CH2:24][N:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH2:28][CH2:27]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1)=[O:15]Participants
8
Sources & evidence
- ORD record
- ord-dacdd0d7a960471aa3bf7765e0e074be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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