Toluene → HCID 178436446, compound
Reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[N:12]2[CH:13]([CH2:19][c:20]3[n:21][n:22][n:23]([CH:25]([CH3:26])[c:27]4[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36]4)[cH:24]3)[C:14](=[O:18])[NH:15][CH:16]=[CH:17]2)[cH:5][cH:6][c:7]1[Cl:8].[Cl:37][CH2:38][Cl:39]>>[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[N:12]2[CH:13]([CH2:19][c:20]3[n:21][n:22][n:23]([CH:25]([CH3:26])[c:27]4[cH:28][cH:29][c:30]([CH2:31][OH:32])[cH:35][cH:36]4)[cH:24]3)[C:14](=[O:18])[NH:15][CH:16]=[CH:17]2)[cH:5][cH:6][c:7]1[Cl:8]Participants
4
Sources & evidence
- ORD record
- ord-ce19549df99a43c98ba80bf10d5e3e43
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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