Toluene → ethyl 1-[4-(1H-pyrazol-1-yl)benzyl]-4-thioxo-1,4-dihydrocinnoline-3-carboxylate
Reaction equation
[CH3:29][O:30][c:31]1[cH:32][cH:33][c:34]([P:35]2(=[S:36])[S:37][P:39](=[S:40])([c:41]3[cH:42][cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48]3)[S:38]2)[cH:49][cH:50]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:1]=[c:2]1[c:3]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[n:4][n:5]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[n:19]3[n:20][cH:21][cH:22][cH:23]3)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[c:2]1(=[S:38])[c:3]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[n:4][n:5]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[n:19]3[n:20][cH:21][cH:22][cH:23]3)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
4
Sources & evidence
- ORD record
- ord-0a47b0fdffe54ef79fbecb776a3ff798
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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