N-methyl-2-pyrrolidone → 6-((trans-4-aminocyclohexyl)amino)-N-(3-fluoro-4-pyridinyl)-8-((1-methyl-1H-pyrazol-3-yl)amino)imidazo[1,2-b]pyridazine-3-carboxamide

HRID 676192

반응식

HRID 676192 반응식
[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH:28]1([NH2:35])[CH2:29][CH2:30][CH:31]([NH2:34])[CH2:32][CH2:33]1.[Cl:1][c:2]1[cH:3][c:4]([NH:21][c:22]2[n:23][n:24]([CH3:27])[cH:25][cH:26]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[c:15]([F:20])[cH:16][n:17][cH:18][cH:19]1)[cH:9][n:10]2>>[c:2]1([NH:35][CH:28]2[CH2:29][CH2:30][CH:31]([NH2:34])[CH2:32][CH2:33]2)[cH:3][c:4]([NH:21][c:22]2[n:23][n:24]([CH3:27])[cH:25][cH:26]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[c:15]([F:20])[cH:16][n:17][cH:18][cH:19]1)[cH:9][n:10]2

참가 물질

4

반응물 3

HCID 13387N-methyl-2-pyrrolidoneHCID 183741,4-DiaminocyclohexaneHCID 596247206-chloro-N-(3-fluoropyridin-4-yl)-8-(1-methyl-1H-pyrazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

생성물 1

HCID 596244656-((trans-4-aminocyclohexyl)amino)-N-(3-fluoro-4-pyridinyl)-8-((1-methyl-1H-pyrazol-3-yl)amino)imidazo[1,2-b]pyridazine-3-carboxamide

출처 및 근거

ORD 기록
ord-b65ba1f4e3a3482f88a1f2184ddcb4e9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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