Acetate → HCID 46927357, compound
Reaction equation
[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:9][c:10]2[cH:11][c:12](=[O:16])[nH:13][n:14][cH:15]2)[cH:6][cH:7]1.[Cl:41][CH2:42][Cl:43].[ClH:40].[Cu+2:48].[OH:17][C:18]([CH2:19][O:20][c:21]1[c:22]([O:30][CH3:31])[cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1)([CH3:32])[CH3:33].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:9][c:10]2[cH:11][c:12](=[O:16])[n:13](-[c:24]3[cH:23][c:22]([O:30][CH3:31])[c:21]([O:20][CH2:19][C:18]([OH:17])([CH3:32])[CH3:33])[cH:26][cH:25]3)[n:14][cH:15]2)[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-86f0fc3cfb014b6696bca54ac1defc51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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