Ammonium → 4-{[7-(Cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl]oxy}benzonitrile
Reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH:16]1([NH:22][c:23]2[c:24]([F:40])[cH:25][c:26]3[c:27](=[O:39])[c:28]([OH:38])[cH:29][n:30]([CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37]4)[c:31]3[cH:32]2)[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1.[Cl-:41].[F:7][c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1.[K+:5].[K+:6].[NH4+:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[c:8]1([O:38][c:28]2[c:27](=[O:39])[c:26]3[cH:25][c:24]([F:40])[c:23]([NH:22][CH:16]4[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]4)[cH:32][c:31]3[n:30]([CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37]3)[cH:29]2)[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1Participants
8
Sources & evidence
- ORD record
- ord-75aacca8b12844d9a0387091e0ea301e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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