Benzene → HCID 20292164, compound
Reaction equation
[CH2:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH3:31].[CH3:45][S:46]([CH3:47])=[O:48].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22].[Cl-:32].[Cl:33][c:34]1[cH:35][cH:36][c:37]([O:43][CH3:44])[c:38]([C:39](=[O:40])[OH:41])[cH:42]1.[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]([CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[C:39]([c:38]1[c:37]([O:43][CH3:44])[cH:36][cH:35][c:34]([Cl:33])[cH:42]1)=[O:40]Participants
7
Sources & evidence
- ORD record
- ord-5d9ad0743bd141998a090eb7ff1689f9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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