6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine → 6-[4-[(2,2-Difluoro-1,3-benzodioxol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

반응식

[F:20][C:21]1([F:32])[O:22][c:23]2[c:24]([cH:26][cH:27][cH:28][c:29]2[CH:30]=[O:31])[O:25]1.[N:1]1([c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([C:16]([F:17])([F:18])[F:19])[n:14][n:15]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([C:16]([F:17])([F:18])[F:19])[n:14][n:15]3)[CH2:2][CH2:3][N:4]([CH2:30][c:29]2[c:23]3[c:24]([cH:26][cH:27][cH:28]2)[O:25][C:21]([F:20])([F:32])[O:22]3)[CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 14768626-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

HCID 27369702,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde

생성물 1

HCID 673401976-[4-[(2,2-Difluoro-1,3-benzodioxol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-68616a4923894e218600cd695eb55dcb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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