Toluene → 4-(2-chloro-4-pyridinyl)-N-[1-methyl-2-(methylthio)ethyl]-2-pyrimidinamine

반응식

[CH3:15][S:16][CH2:17][CH:18]([CH3:19])[NH2:20].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([Cl:14])[n:11][cH:12][cH:13]2)[n:7]1>>[c:2]1([NH:20][CH:18]([CH2:17][S:16][CH3:15])[CH3:19])[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([Cl:14])[n:11][cH:12][cH:13]2)[n:7]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 120973921-(Methylsulfanyl)propan-2-amine

HCID 581026912-Chloro-4-(2-chloropyridin-4-yl)pyrimidine

생성물 1

HCID 866467764-(2-chloro-4-pyridinyl)-N-[1-methyl-2-(methylthio)ethyl]-2-pyrimidinamine

출처 및 근거

ORD 기록: ord-b89b3da3e153458e9ab6d73f3df69202
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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