Benzene → HCID 178483206, compound
Reaction equation
[CH3:33][NH:34][CH2:35][CH2:36][c:37]1[n:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:7][C:8]([CH3:9])([CH3:10])[c:11]1[cH:12][c:13]([S:21][CH:22]2[CH:23]([S:28][CH2:29][C:30](=[O:31])[OH:32])[CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:7][C:8]([CH3:9])([CH3:10])[c:11]1[cH:12][c:13]([S:21][CH:22]2[CH:23]([S:28][CH2:29][C:30](=[O:32])[N:34]([CH3:33])[CH2:35][CH2:36][c:37]3[n:38][cH:39][cH:40][cH:41][cH:42]3)[CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]1Participants
6
Sources & evidence
- ORD record
- ord-a3c2cb5cd8b64c17a920a28a0d419c66
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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