Pentanoic Acid → 6-(4-{4-[2-(4-Pentanoylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine

HRID 143085

반응식

HRID 143085 반응식
[CH3:35][CH2:36][CH2:37][CH2:38][C:39]([OH:40])=[O:41].[N:1]1([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][N:19]([C:22]4=[N:27][n:26]5[c:25]([n:30][n:29][c:28]5[C:31]([F:32])([F:33])[F:34])[CH2:24][CH2:23]4)[CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][N:19]([C:22]4=[N:27][n:26]5[c:25]([n:30][n:29][c:28]5[C:31]([F:32])([F:33])[F:34])[CH2:24][CH2:23]4)[CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][N:4]([C:39]([CH2:38][CH2:37][CH2:36][CH3:35])=[O:40])[CH2:5][CH2:6]1

참가 물질

3

반응물 2

HCID 7991Pentanoic AcidHCID 685030846-[4-[4-[2-(Piperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

생성물 1

HCID 468939806-(4-{4-[2-(4-Pentanoylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록
ord-4da3680ca40747b99f7bdf4ca230ea9f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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