Benzene → HCID 21525735, compound
Reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:1][C:2]([Cl:3])=[O:4].[N+:29](=[O:30])([O-:31])[c:32]1[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]1.[N:5]1([C:10]2=[CH:11][CH2:12][S:13](=[O:20])(=[O:21])[c:14]3[c:15]2[cH:16][cH:17][cH:18][cH:19]3)[CH2:6][CH2:7][CH2:8][CH2:9]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:2](=[O:4])([C:11]1=[C:10]([N:5]2[CH2:6][CH2:7][CH2:8][CH2:9]2)[c:15]2[c:14]([cH:19][cH:18][cH:17][cH:16]2)[S:13](=[O:20])(=[O:21])[CH2:12]1)[O:38][c:35]1[cH:34][cH:33][c:32]([N+:29](=[O:30])[O-:31])[cH:37][cH:36]1Participants
7
Sources & evidence
- ORD record
- ord-b85bcaa2fe7e487ab41e21e3b00fc935
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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