Acetic Acid → HCID 17963321, compound
Reaction equation
[C:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[C:42](=[O:43])([OH:44])[O-:45].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:52][C:53](=[O:54])[OH:55].[Cl:1][c:2]1[cH:3][c:4]([O:5][CH:6]2[CH2:7][CH2:8][NH:9][CH2:10][CH2:11]2)[cH:12][cH:13][c:14]1[Cl:15].[Na+:41].[Na+:46].[O:16]=[C:17]1[CH2:18][CH2:19][CH:20]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:21][CH2:22]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH:6]2[CH2:7][CH2:8][N:9]([CH:17]3[CH2:18][CH2:19][CH:20]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:21][CH2:22]3)[CH2:10][CH2:11]2)[cH:12][cH:13][c:14]1[Cl:15]Participants
8
Sources & evidence
- ORD record
- ord-6c01f8d9230f478fabaec79c4532d6b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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