Bicarbonate Ion → 7-chloro-4-[2,2-difluoro-2-(1-methylpiperidin-2-yl)ethoxy]-3-(3,5-dimethylphenyl)-2-oxo-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide

HRID 802392Notes

Reaction equation

HRID 802392 reaction equation
[C:43](=[O:44])([OH:45])[O-:46].[Cl:1][CH2:2][C:3]([F:4])([F:5])[CH:6]1[N:7]([CH3:12])[CH2:8][CH2:9][CH2:10][CH2:11]1.[I-:49].[K+:47].[Na+:48].[n:13]1[cH:14][n:15][c:16]([NH:19][C:20](=[O:21])[c:22]2[cH:23][c:24]3[c:25]([OH:42])[c:26](-[c:34]4[cH:35][c:36]([CH3:41])[cH:37][c:38]([CH3:40])[cH:39]4)[c:27](=[O:33])[nH:28][c:29]3[cH:30][c:31]2[Cl:32])[cH:17][cH:18]1>>[CH2:2]([C:3]([F:4])([F:5])[CH:6]1[N:7]([CH3:12])[CH2:8][CH2:9][CH2:10][CH2:11]1)[O:42][c:25]1[c:24]2[cH:23][c:22]([C:20]([NH:19][c:16]3[n:15][cH:14][n:13][cH:18][cH:17]3)=[O:21])[c:31]([Cl:32])[cH:30][c:29]2[nH:28][c:27](=[O:33])[c:26]1-[c:34]1[cH:35][c:36]([CH3:41])[cH:37][c:38]([CH3:40])[cH:39]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 30165Iodide IonHCID 221244822-(2-Chloro-1,1-difluoroethyl)-1-methylpiperidineHCID 547300977-Chloro-3-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid pyrimidin-4-ylamide

Product 1

HCID 538883207-chloro-4-[2,2-difluoro-2-(1-methylpiperidin-2-yl)ethoxy]-3-(3,5-dimethylphenyl)-2-oxo-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide

Sources & evidence

ORD record
ord-b9d0dbf762de40e18f4df4357b13b2af
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

Loading…