Trifluoroacetic acid → N-[2-Fluoro-4-[(2-{[(3-methoxyazetidin-1-yl)carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HRID 2139799Notes

Reaction equation

HRID 2139799 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:56][O:57][CH:58]1[CH2:59][NH:60][CH2:61]1.[Cl:39][C:40](=[O:41])[O:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([F:31])[c:12]([NH:15][C:16](=[O:17])[C:18]3([C:21](=[O:22])[NH:23][c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:7]1.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([F:31])[c:12]([NH:15][C:16](=[O:17])[C:18]3([C:21](=[O:22])[NH:23][c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:7]1)[C:40](=[O:41])[N:60]1[CH2:59][CH:58]([O:57][CH3:56])[CH2:61]1

Participants

7

Reactant 6

HCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 15891Phenyl chloroformateHCID 134019963-MethoxyazetidineHCID 59596943N-(4-(2-aminopyridin-4-yloxy)-2-fluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Product 1

HCID 59596992N-[2-Fluoro-4-[(2-{[(3-methoxyazetidin-1-yl)carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-fd71708539264315adf0e3628acd37db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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