6-Chloro-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine → 6-(4-Benzyl-2-methylpiperazin-1-yl)-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH3:14])[NH:11][CH2:12][CH2:13]1.[Cl:15][c:16]1[cH:17][cH:18][c:19]2[n:20]([n:21]1)[c:22]([C:25]([F:26])([F:27])[Cl:28])[n:23][n:24]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH3:14])[N:11]([c:16]2[cH:17][cH:18][c:19]3[n:20]([n:21]2)[c:22]([C:25]([F:26])([F:27])[Cl:28])[n:23][n:24]3)[CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 14891146-Chloro-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine

HCID 27275201-Benzyl-3-methylpiperazine

생성물 1

HCID 591496956-(4-Benzyl-2-methylpiperazin-1-yl)-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-aba2194e006d4eabbc802ca25f60155e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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