Hydrochloric Acid → Hydrochloric Acid

HRID 2152196Notes

Reaction equation

HRID 2152196 reaction equation
[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:56].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][c:8]([C:12]([NH2:13])=[O:14])[n:9][cH:10][cH:11]2)[cH:15][cH:16][c:17]1[NH:18][C:19](=[O:20])[C:21]1([C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)=[O:33])[CH2:22][CH2:23]1.[F:35][C:36]([F:37])([F:38])[C:39]([O:40][IH2:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[O:48][C:49](=[O:50])[C:51]([F:52])([F:53])[F:54])=[O:55].[OH2:34].[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1>>[ClH:56].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][c:8]([NH2:58])[n:9][cH:10][cH:11]2)[cH:15][cH:16][c:17]1[NH:18][C:19](=[O:20])[C:21]1([C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)=[O:33])[CH2:22][CH2:23]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 595970164-(3-Fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridine-2-carboxamideHCID 178526050HCID 178526050, compound

Product 2

HCID 313Hydrochloric AcidHCID 59596943N-(4-(2-aminopyridin-4-yloxy)-2-fluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-9e5a43f0148f4301b98aa7a38543b1fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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