Toluene → Ethyl-8-chloro-1-(4-iodobenzyl)-4-thioxo-1,4-dihydrocinnoline-3-carboxylate
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]([CH2:18][c:19]2[cH:20][cH:21][c:22]([I:25])[cH:23][cH:24]2)[c:9]2[c:10]([Cl:17])[cH:11][cH:12][cH:13][c:14]2[c:15]1=[O:16].[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([P:32]2(=[S:35])[S:33][P:34]([c:36]3[cH:37][cH:38][c:39]([O:40][CH3:41])[cH:42][cH:43]3)(=[S:44])[S:45]2)[cH:46][cH:47]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]([CH2:18][c:19]2[cH:20][cH:21][c:22]([I:25])[cH:23][cH:24]2)[c:9]2[c:10]([Cl:17])[cH:11][cH:12][cH:13][c:14]2[c:15]1=[S:35]Participants
4
Sources & evidence
- ORD record
- ord-0a60654dcbab4fe7bdc3784021e31f87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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