Sodium ion → N1-phenyl-3-chloro-5-[(2-([(4-piperidyl)carbonyl]amino}-4-pyridyl)oxy]-1H-1-indolecarboxamide

HRID 170625Notes

Reaction equation

HRID 170625 reaction equation
[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8](=[O:9])[n:10]1[cH:11][c:12]([Cl:42])[c:13]2[cH:14][c:15]([O:19][c:20]3[cH:21][c:22]([NH:26][C:27](=[O:28])[CH:29]4[CH2:30][CH2:31][N:32]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:33][CH2:34]4)[n:23][cH:24][cH:25]3)[cH:16][cH:17][c:18]12.[Na+:46].[Na:43].[OH-:45].[OH2:44].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8](=[O:9])[n:10]1[cH:11][c:12]([Cl:42])[c:13]2[cH:14][c:15]([O:19][c:20]3[cH:21][c:22]([NH:26][C:27](=[O:28])[CH:29]4[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]4)[n:23][cH:24][cH:25]3)[cH:16][cH:17][c:18]12

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 5360545SodiumHCID 57933370tert-butyl 4-{[(4-{[1-(anilinocarbonyl)-3-chloro-1H-5-indolyl]oxy}-2-pyridyl)amino]carbonyl)-1-piperidinecarboxylate

Product 1

HCID 67205315N1-phenyl-3-chloro-5-[(2-([(4-piperidyl)carbonyl]amino}-4-pyridyl)oxy]-1H-1-indolecarboxamide

Sources & evidence

ORD record
ord-04b158e4ac744ef6bf434bd212dbc68a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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