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Dimethyl Sulfoxide → 6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyrazin-2-yl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

HRID 300832
노트
인쇄 미리보기

반응식

HRID 300832 반응식
[CH3:30][NH:31][CH2:32][CH2:33][CH2:34][OH:35].[CH3:38][S:39]([CH3:40])=[O:41].[Cl:1][c:2]1[c:3](-[c:21]2[c:22]([F:29])[cH:23][c:24]([F:28])[cH:25][c:26]2[F:27])[c:4]([NH:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][n:12][cH:13]2)[n:7]1.[H-:36].[Na+:37]>>[Cl:1][c:2]1[c:3](-[c:21]2[c:22]([F:29])[cH:23][c:24]([O:35][CH2:34][CH2:33][CH2:32][NH:31][CH3:30])[cH:25][c:26]2[F:27])[c:4]([NH:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][n:12][cH:13]2)[n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 166653HydrideHCID 101489863-(Methylamino)-1-propanolHCID 112934296-chloro-2-pyrazin-2-yl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

생성물 1

HCID 11260601
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyrazin-2-yl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

출처 및 근거

ORD 기록
ord-1abd3418954c401e9ee819ba101d7082
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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