1,3-Benzodioxole-4-carboxaldehyde → 6-[4-(1,3-Benzodioxol-4-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

반응식

[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.[O:20]1[CH2:21][O:22][c:23]2[c:24]1[cH:25][cH:26][cH:27][c:28]2[CH:29]=[O:30]>>[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]([CH2:29][c:28]2[c:23]3[c:24]([cH:25][cH:26][cH:27]2)[O:20][CH2:21][O:22]3)[CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 822641,3-Benzodioxole-4-carboxaldehyde

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

생성물 1

HCID 673400236-[4-(1,3-Benzodioxol-4-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-8c1408f580a94fe8965f6eabe6edb5fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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