Pentane → (4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(4,5-difluoro-2-methoxy-phenyl)-methanone

HRID 1218206Notes

Reaction equation

HRID 1218206 reaction equation
[Br:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][c:5]([F:9])[c:6]([F:8])[cH:7]1.[CH2:12]([Li:13])[CH2:14][CH2:15][CH3:16].[CH3:17][O:18][N:19]([C:20](=[O:21])[c:22]1[c:23]([NH2:31])[n:24][c:25]([S:28][CH2:29][CH3:30])[n:26][cH:27]1)[CH3:32].[CH3:38][CH2:39][CH2:40][CH2:41][CH3:42].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[c:2]1([C:20](=[O:21])[c:22]2[c:23]([NH2:31])[n:24][c:25]([S:28][CH2:29][CH3:30])[n:26][cH:27]2)[c:3]([O:10][CH3:11])[cH:4][c:5]([F:9])[c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 8003PentaneHCID 8028Tetrahydrofuran2×HCID 27362621-Bromo-4,5-difluoro-2-methoxybenzeneHCID 119748325-Pyrimidinecarboxamide, 4-amino-2-(ethylthio)-N-methoxy-N-methyl-HCID 178418339Butyllithium

Product 1

HCID 11974838(4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(4,5-difluoro-2-methoxy-phenyl)-methanone

Sources & evidence

ORD record
ord-a80afff19aea4f81b0c5db1244c51a96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…