Toluene → HCID 178439137, compound
Reaction equation
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]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.[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]2[CH:14]([CH:16]3[CH2:17][CH:18]([CH2:22][CH2:23][CH3:24])[C:19](=[O:21])[O:20]3)[CH2:15]2)[cH:6][cH:7][cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][CH:14]([CH2:15][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])[CH:16]2[CH2:17][CH:18]([CH2:22][CH2:23][CH3:24])[C:19](=[O:21])[O:20]2)[cH:6][cH:7][cH:8][cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-37ee86d83523480cbedc4daa895119f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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