Piperidine → 6-(2-Chlorophenyl)-7-(4-chlorophenyl)-3-(piperidin-1-yl)-[1,2,4]triazolo [4,3-b]pyridazine

반응식

[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[Cl:1][c:2]1[n:3][n:4][c:5]2[n:6]1[n:7][c:8](-[c:18]1[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]1)[c:9](-[c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[cH:10]2>>[c:2]1([N:28]2[CH2:27][CH2:26][CH2:25][CH2:30][CH2:29]2)[n:3][n:4][c:5]2[n:6]1[n:7][c:8](-[c:18]1[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]1)[c:9](-[c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[cH:10]2

참가 물질

반응물 2

HCID 8082Piperidine

HCID 579797573-Chloro-6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

생성물 1

HCID 119930156-(2-Chlorophenyl)-7-(4-chlorophenyl)-3-(piperidin-1-yl)-[1,2,4]triazolo [4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-007c284128644f8f8e0bfd1811e5bb84
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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