Water → {4-[5-(4-Fluoro-3-trifluoromethyl-phenylcarbamoyl)-naphthalen-2-yloxy]-pyrimidin-2-yl}carbamic acid isobutyl ester

HRID 2126176Notes

Reaction equation

HRID 2126176 reaction equation
[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:1][C:2](=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[CH3:8].[Cl:41][CH2:42][Cl:43].[F:9][c:10]1[c:11]([C:37]([F:38])([F:39])[F:40])[cH:12][c:13]([NH:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][cH:22][c:23]3[cH:24][c:25]([O:29][c:30]4[n:31][c:32]([NH2:36])[n:33][cH:34][cH:35]4)[cH:26][cH:27][c:28]23)[cH:14][cH:15]1.[OH2:56].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[C:2](=[O:3])([O:4][CH2:5][CH:6]([CH3:7])[CH3:8])[NH:36][c:32]1[n:31][c:30]([O:29][c:25]2[cH:24][c:23]3[cH:22][cH:21][cH:20][c:19]([C:17]([NH:16][c:13]4[cH:12][c:11]([C:37]([F:38])([F:39])[F:40])[c:10]([F:9])[cH:15][cH:14]4)=[O:18])[c:28]3[cH:27][cH:26]2)[cH:35][cH:34][n:33]1

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 62365Isobutyl chloroformateHCID 160715501-Naphthalenecarboxamide, 6-[(2-amino-4-pyrimidinyl)oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-

Product 1

HCID 23652795{4-[5-(4-Fluoro-3-trifluoromethyl-phenylcarbamoyl)-naphthalen-2-yloxy]-pyrimidin-2-yl}carbamic acid isobutyl ester

Sources & evidence

ORD record
ord-9dfb8714b52a42ce9ab9210c9ec47e8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…