Dichloromethane → 4-(2-(4-Isothiocyanatophenoxy)pyridin-3-yl)-2-(methylthio)pyrimidine

반응식

[C:23]([O:24][c:25]1[cH:26][cH:27][cH:28][cH:29][n:30]1)([O:31][c:32]1[cH:33][cH:34][cH:35][cH:36][n:37]1)=[S:38].[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[n:11][cH:12][cH:13][cH:14]2)[n:8]1.[Cl:39][CH2:40][Cl:41]>>[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10]([O:15][c:16]3[cH:17][cH:18][c:19]([N:22]=[C:23]=[S:38])[cH:20][cH:21]3)[n:11][cH:12][cH:13][cH:14]2)[n:8]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 719784O,O-Dipyridin-2-yl carbonothioate

HCID 667319134-{3-[2-(Methylthio)pyrimidin-4-yl]pyridin-2-yloxy}benzeneamine

생성물 1

HCID 866149574-(2-(4-Isothiocyanatophenoxy)pyridin-3-yl)-2-(methylthio)pyrimidine

출처 및 근거

ORD 기록: ord-57c7e3e5c21c45d9a10a37a993c9b8a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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