Toluene → HCID 66789154, compound
Reaction equation
[CH3:40][O:41][C:42](=[O:43])[c:44]1[cH:45][cH:46][c:47]([NH2:48])[c:49]([CH3:50])[cH:51]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:34][CH3:35])[c:6]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][O:14][c:15]3[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][c:24]2[c:25]([CH3:33])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]2)[cH:19][cH:20]3)[cH:7]1.[S:36]([Cl:37])([Cl:38])=[O:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:34][CH3:35])[c:6]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][O:14][c:15]3[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][c:24]2[c:25]([CH3:33])[cH:26][c:27]([C:28]([O:29][CH3:40])=[O:30])[cH:31][cH:32]2)[cH:19][cH:20]3)[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-bf4b8acc84fb4cb08419ce04288e49d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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