Acetate → 1-cyclopropyl-3-ethyl-6-{1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-5-yl}-1H-indazole
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][nH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][cH:14][n:15][n:16]3-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[cH:9][cH:10][c:11]12.[CH3:33][C:34](=[O:35])[O-:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH:27]1([B:30]([OH:31])[OH:32])[CH2:28][CH2:29]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[CH2:1]([CH3:2])[c:3]1[n:4][n:5]([CH:27]2[CH2:28][CH2:29]2)[c:6]2[cH:7][c:8](-[c:12]3[cH:13][cH:14][n:15][n:16]3-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[cH:9][cH:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-2729895eeb324bb2a8050eaddcaf4c76
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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