Benzene → HCID 13850621, compound
Reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH:35]([CH3:36])([CH2:37][CH3:38])[SH:39].[Cl:20][CH:21]([NH:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][cH:28][n:29][cH:30]1)[C:31]([Cl:32])([Cl:33])[Cl:34].[Na+:44].[OH:1][CH:2]([C:3]([Cl:4])([Cl:5])[Cl:6])[NH:7][C:8]([c:9]1[cH:10][n:11][cH:12][cH:13][cH:14]1)=[O:15].[S:16]([Cl:17])([Cl:18])=[O:19].[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH:2]([C:3]([Cl:4])([Cl:5])[Cl:6])([NH:7][C:8]([c:9]1[cH:10][n:11][cH:12][cH:13][cH:14]1)=[O:15])[S:39][CH:35]([CH3:36])[CH2:37][CH3:38]Participants
9
Sources & evidence
- ORD record
- ord-5f0830cf733e4107827ebe39f4509904
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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