Toluene → HCID 87179378, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][C:5]([CH2:6][n:7]1[c:8](=[N:16][C:17]([c:18]2[c:19]([O:25][CH3:26])[cH:20][cH:21][c:22]([Cl:24])[cH:23]2)=[O:27])[s:9][c:10]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:11]1)([CH3:28])[CH3:29].[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([P:36]2(=[S:37])[S:38][P:40](=[S:41])([c:42]3[cH:43][cH:44][c:45]([O:46][CH3:47])[cH:48][cH:49]3)[S:39]2)[cH:50][cH:51]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]([CH2:6][n:7]1[c:8](=[N:16][C:17]([c:18]2[c:19]([O:25][CH3:26])[cH:20][cH:21][c:22]([Cl:24])[cH:23]2)=[S:39])[s:9][c:10]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:11]1)([CH3:28])[CH3:29]Participants
4
Sources & evidence
- ORD record
- ord-e097d1e3a9254db09a327035f2335eb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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