Toluene → ethyl-8-chloro-1-[4-(1H-pyrazol-1-yl)benzyl]-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](-[n:25]3[n:26][cH:27][cH:28][cH:29]3)[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].[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([P:36]2(=[S:39])[S:37][P:38]([c:40]3[cH:41][cH:42][c:43]([O:44][CH3:45])[cH:46][cH:47]3)(=[S:48])[S:49]2)[cH:50][cH:51]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]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](-[n:25]3[n:26][cH:27][cH:28][cH:29]3)[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:39]Participants
4
Sources & evidence
- ORD record
- ord-ed18e3df9bc54f268ae2ac5db90096a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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