Toluene → HCID 178439136, compound
Reaction equation
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:1]([CH3:2])([CH3:3])[CH:4]1[C:5](=[O:24])[O:6][CH:7]([CH:9]2[N:10]([S:12](=[O:13])(=[O:14])[c:15]3[c:16]([N+:21](=[O:22])[O-:23])[cH:17][cH:18][cH:19][cH:20]3)[CH2:11]2)[CH2:8]1.[Cl:25][c:26]1[c:27]([N:32]2[C:33](=[O:40])[CH2:34][NH:35][C:36]([CH3:38])([CH3:39])[CH2:37]2)[cH:28][cH:29][cH:30][cH:31]1>>[CH:1]([CH3:2])([CH3:3])[CH:4]1[C:5](=[O:24])[O:6][CH:7]([CH:9]([NH:10][S:12](=[O:13])(=[O:14])[c:15]2[c:16]([N+:21](=[O:22])[O-:23])[cH:17][cH:18][cH:19][cH:20]2)[CH2:11][N:35]2[CH2:34][C:33](=[O:40])[N:32]([c:27]3[c:26]([Cl:25])[cH:31][cH:30][cH:29][cH:28]3)[CH2:37][C:36]2([CH3:38])[CH3:39])[CH2:8]1Participants
4
Sources & evidence
- ORD record
- ord-74ff7e58055748c69e5b4c88613699d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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