Piperazine → 6'-(6-Fluoro-pyridin-2-ylmethoxy)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

반응식

[CH2:39]1[NH:40][CH2:41][CH2:42][NH:43][CH2:44]1.[Cl:23][c:24]1[n:25][c:26]([O:30][CH2:31][c:32]2[n:33][c:34]([F:38])[cH:35][cH:36][cH:37]2)[cH:27][n:28][cH:29]1.[N:1]1([c:7]2[cH:8][n:9][cH:10][c:11]([O:12][CH2:13][c:14]3[cH:15][c:16]([C:20]#[N:21])[cH:17][cH:18][cH:19]3)[n:22]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:24]2[n:25][c:26]([O:30][CH2:31][c:32]3[n:33][c:34]([F:38])[cH:35][cH:36][cH:37]3)[cH:27][n:28][cH:29]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 4837Piperazine

HCID 98573352-[(3-Cyanobenzyl)Oxy]-6-(1-Piperazinyl)Pyrazine

HCID 224820092-Chloro-6-(6-fluoro-pyridin-2-ylmethoxy)-pyrazine

생성물 1

HCID 99220216'-(6-Fluoro-pyridin-2-ylmethoxy)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

출처 및 근거

ORD 기록: ord-1b67196dc29b4b3087af7792cd3cf0fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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