6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine → 6-[4-(1,3-Benzoxazol-2-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[c:21]([CH:29]=[O:30])[n:22][c:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2>>[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:21]2[o:20][c:24]3[c:23]([n:22]2)[cH:28][cH:27][cH:26][cH:25]3)[CH2:5][CH2:6]1

참가 물질

반응물 2

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

HCID 44833931,3-Benzoxazole-2-carbaldehyde

생성물 1

HCID 673407146-[4-(1,3-Benzoxazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-efba792ebdca48e0b8cab162a4144e22
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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