N-(2-Hydroxyethyl)imidazole → 6-[4-[4-[2-(1H-imidazol-1-yl)ethoxy]phenyl]piperazin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

반응식

[F:1][C:2]([c:3]1[n:4][n:5][c:6]2[n:7]1[n:8][c:9]([N:12]1[CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([OH:24])[cH:22][cH:23]3)[CH2:16][CH2:17]1)[cH:10][cH:11]2)([F:25])[F:26].[OH:27][CH2:28][CH2:29][n:30]1[cH:31][n:32][cH:33][cH:34]1>>[F:1][C:2]([c:3]1[n:4][n:5][c:6]2[n:7]1[n:8][c:9]([N:12]1[CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([O:24][CH2:28][CH2:29][n:30]4[cH:31][n:32][cH:33][cH:34]4)[cH:22][cH:23]3)[CH2:16][CH2:17]1)[cH:10][cH:11]2)([F:25])[F:26]

참가 물질

반응물 2

HCID 74168N-(2-Hydroxyethyl)imidazole

HCID 300088374-[4-[3-(Trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]phenol

생성물 1

HCID 591497826-[4-[4-[2-(1H-imidazol-1-yl)ethoxy]phenyl]piperazin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-58e322d4ab71448586daee5b8f4a689d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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