Toluene → HCID 87179765, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:26][CH:27]2[O:28][CH2:29][CH2:30][CH2:31]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:22][CH2:23][CH3:24])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[O:25])[s:9]1.[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([P:38]2(=[S:39])[S:40][P:42](=[S:43])([c:44]3[cH:45][cH:46][c:47]([O:48][CH3:49])[cH:50][cH:51]3)[S:41]2)[cH:52][cH:53]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:26][CH:27]2[O:28][CH2:29][CH2:30][CH2:31]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:22][CH2:23][CH3:24])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[S:41])[s:9]1Participants
4
Sources & evidence
- ORD record
- ord-7d762578846d45dfbc77f1410fe9e48d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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