1-(2,6-Xylyl)piperazine → 6-[4-(2,6-Dimethylphenyl)piperazino]-3-(trifluoromethyl)[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])[F: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])[F: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 6136576-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine

생성물 1

HCID 14796606-[4-(2,6-Dimethylphenyl)piperazino]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-ae62483a09844074bd84848dc10fc876
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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