Toluene → HCID 178461092, compound
Reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[OH:1][c:2]1[cH:3][c:4]([S:19](=[O:20])[CH3:21])[cH:5][c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]([C:17]#[N:18])[cH:12][c:13]3[c:14](=[O:16])[c:15]12.[P:34]([O:35][c:36]1[c:37]([CH3:44])[cH:38][c:39]([Cl:43])[cH:40][c:41]1[Cl:42])([S:45][CH2:46][CH2:47][CH3:48])([Cl:49])=[O:50]>>[O:1]([c:2]1[cH:3][c:4]([S:19](=[O:20])[CH3:21])[cH:5][c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]([C:17]#[N:18])[cH:12][c:13]3[c:14](=[O:16])[c:15]12)[P:34]([O:35][c:36]1[c:37]([CH3:44])[cH:38][c:39]([Cl:43])[cH:40][c:41]1[Cl:42])([S:45][CH2:46][CH2:47][CH3:48])=[O:50]Participants
6
Sources & evidence
- ORD record
- ord-7d81cf4d06ea4f28b902ac857e2f7a8b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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