Toluene → HCID 57272971, compound
Reaction equation
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[OH:1][c:2]1[cH:3][c:4]([S:18](=[O:19])[CH3:20])[cH:5][c:6]2[n:7][c:8]3[cH:9][cH:10][c:11]([C:16]#[N:17])[cH:12][c:13]3[cH:14][c:15]12.[P:33]([O:34][c:35]1[c:36]([CH3:43])[cH:37][c:38]([Cl:42])[cH:39][c:40]1[Cl:41])([S:44][CH2:45][CH2:46][CH3:47])([Cl:48])=[O:49]>>[O:1]([c:2]1[cH:3][c:4]([S:18](=[O:19])[CH3:20])[cH:5][c:6]2[n:7][c:8]3[cH:9][cH:10][c:11]([C:16]#[N:17])[cH:12][c:13]3[cH:14][c:15]12)[P:33]([O:34][c:35]1[c:36]([CH3:43])[cH:37][c:38]([Cl:42])[cH:39][c:40]1[Cl:41])([S:44][CH2:45][CH2:46][CH3:47])=[O:49]Participants
6
Sources & evidence
- ORD record
- ord-5c9eafb6f0b8481eb70b9be1d61a14f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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