Benzene → HCID 25189876, compound
Reaction equation
[CH3:1][C:2]12[CH2:3][CH2:4][CH2:5][c:6]3[cH:7][c:8]([NH2:15])[cH:9][c:10]([c:14]31)[CH2:11][CH2:12][CH2:13]2.[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[Cl:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[ClH:35].[cH:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[CH3:1][C:2]12[CH2:3][CH2:4][CH2:5][c:6]3[cH:7][c:8]([NH:15][S:23](=[O:24])(=[O:25])[c:26]4[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]4)[cH:9][c:10]([c:14]31)[CH2:11][CH2:12][CH2:13]2Participants
7
Sources & evidence
- ORD record
- ord-69730e5e21d3473aab93ef67a0ee5e8e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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