2-Methylpyrrolidine → 5-Chloro-6-{4-[6-(4-fluoro-phenyl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-nicotinic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][n:7][c:8]([N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][c:20]([Cl:31])[n:21][c:22](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[cH:23]3)[CH2:16][CH2:17]2)[c:9]([Cl:11])[cH:10]1)=[O:32].[CH3:33][CH:34]1[NH:35][CH2:36][CH2:37][CH2:38]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][n:7][c:8]([N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][c:20]([N:35]4[CH:34]([CH3:33])[CH2:38][CH2:37][CH2:36]4)[n:21][c:22](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[cH:23]3)[CH2:16][CH2:17]2)[c:9]([Cl:11])[cH:10]1)=[O:32]Participants
3
Sources & evidence
- ORD record
- ord-9dc07d5960fc4281890a549efdbec373
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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