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

HRID 2122657Notes

Reaction equation

HRID 2122657 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[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+:48].[Na+:50].[OH-:49].[OH2:43].[OH:51][C:52]([C:53]([F:54])([F:55])[F:56])=[O:57]>>[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 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 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-5872d8ef3ab645a3a64644fc68c868c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…