Toluene → HCID 87179631, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]([CH3:24])[CH3:25])[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[O:21])[s:9]1.[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([P:32]2(=[S:33])[S:34][P:36](=[S:37])([c:38]3[cH:39][cH:40][c:41]([O:42][CH3:43])[cH:44][cH:45]3)[S:35]2)[cH:46][cH:47]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]([CH3:24])[CH3:25])[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[S:35])[s:9]1Participants
4
Sources & evidence
- ORD record
- ord-21e4975cb8614a559804dcbd982abcad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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