1-(2,6-Xylyl)piperazine → 3-[Chloro(difluoro)methyl]-6-[4-(2,6-dimethylphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazine

반응식

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

참가 물질

반응물 2

HCID 705381-(2,6-Xylyl)piperazine

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

생성물 1

HCID 591497713-[Chloro(difluoro)methyl]-6-[4-(2,6-dimethylphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-95539b0cad8e49ffb514f24d7e9d9589
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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