Toluene → HCID 87179764, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:25][CH:26]2[CH2:27][N:28]([S:30](=[O:31])(=[O:32])[CH:33]3[CH2:34][CH2:35]3)[CH2:29]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:22][CH3:23])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[O:24])[s:9]1.[CH3:36][O:37][c:38]1[cH:39][cH:40][c:41]([P:42]2(=[S:43])[S:44][P:46](=[S:47])([c:48]3[cH:49][cH:50][c:51]([O:52][CH3:53])[cH:54][cH:55]3)[S:45]2)[cH:56][cH:57]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:25][CH:26]2[CH2:27][N:28]([S:30](=[O:31])(=[O:32])[CH:33]3[CH2:34][CH2:35]3)[CH2:29]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:22][CH3:23])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[S:45])[s:9]1Participants
4
Sources & evidence
- ORD record
- ord-2377ff7de1db45ddbfe57b88e0b0afd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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