Water → N-(4-((6-cyano-7-(4-piperidylmethoxy)-4-quinolyl)oxy)-2-fluorophenyl)-N'-cyclopropylurea

HRID 308620Notes

Reaction equation

HRID 308620 reaction equation
[C:8](#[N:9])[c:10]1[cH:11][c:12]2[c:13]([O:35][c:36]3[cH:37][c:38]([F:49])[c:39]([NH:42][C:43](=[O:44])[NH:45][CH:46]4[CH2:47][CH2:48]4)[cH:40][cH:41]3)[cH:14][cH:15][n:16][c:17]2[cH:18][c:19]1[O:20][CH2:21][CH:22]1[CH2:23][CH2:24][N:25]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:26][CH2:27]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Na:50].[OH2:51].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[C:8](#[N:9])[c:10]1[cH:11][c:12]2[c:13]([O:35][c:36]3[cH:37][c:38]([F:49])[c:39]([NH:42][C:43](=[O:44])[NH:45][CH:46]4[CH2:47][CH2:48]4)[cH:40][cH:41]3)[cH:14][cH:15][n:16][c:17]2[cH:18][c:19]1[O:20][CH2:21][CH:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1

Participants

6

Reactant 5

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 5360545SodiumHCID 22936270Tert-butyl 4-(((6-cyano-4-(4-(((cyclopropylamino)carbonyl) amino)-3-fluorophenoxy)-7-quinolyl)oxy)methyl)-1-piperidinecarboxylate

Product 1

HCID 22936581N-(4-((6-cyano-7-(4-piperidylmethoxy)-4-quinolyl)oxy)-2-fluorophenyl)-N'-cyclopropylurea

Sources & evidence

ORD record
ord-d1808bb151dd4de9849a2e93cb3f8483
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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