Bicarbonate Ion → 1-(3-Methyl-isoquinolin-5-yl)-3-[1-(2-trifluoromethyl-benzyl)pyrrolidin-3-yl]urea
Reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:47](=[O:48])([O-:49])[OH:50].[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[NH:15][CH:16]3[CH2:17][NH:18][CH2:19][CH2:20]3)[c:10]2[cH:11]1.[Cl:55][CH2:56][Cl:57].[F:21][C:22]([c:23]1[c:24]([CH:25]=[O:26])[cH:27][cH:28][cH:29][cH:30]1)([F:31])[F:32].[N-:52]=[C:53]=[O:54].[Na+:46].[Na+:51]>>[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[NH:15][CH:16]3[CH2:17][N:18]([CH2:25][c:24]4[c:23]([C:22]([F:21])([F:31])[F:32])[cH:30][cH:29][cH:28][cH:27]4)[CH2:19][CH2:20]3)[c:10]2[cH:11]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-55d05e0b546e4f99a8b705579347f749
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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