Toluene → HCID 87179804, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[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.[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32]([P:33]2(=[S:34])[S:35][P:37](=[S:38])([c:39]3[cH:40][cH:41][c:42]([O:43][CH3:44])[cH:45][cH:46]3)[S:36]2)[cH:47][cH:48]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[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:36])[s:9]1Participants
4
Sources & evidence
- ORD record
- ord-eb8a7be2e40e43b59b430c1b2a4e4c0f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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