Toluene → HCID 21389725, compound
Reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[NH:9][C:10](=[O:26])[CH:11]([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]32)[cH:6][cH:7]1.[O:41]=[Ca:42].[P:27]12(=[S:28])[S:29][P:30]3(=[S:40])[S:31][P:32](=[S:38])([S:33][P:34](=[S:37])([S:35]3)[S:36]1)[S:39]2>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[NH:9][C:10](=[S:28])[CH:11]([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]32)[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-985f4fe36a43488bb15392c465810173
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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