Hydrochloric Acid → [5-Cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

HRID 1142139

반응식

HRID 1142139 반응식
[CH:1]1([c:4]2[c:5]([C:26](=[O:27])[OH:28])[c:6](-[c:20]3[cH:21][cH:22][n:23][cH:24][cH:25]3)[n:7][n:8]2-[c:9]2[cH:10][c:11]([O:15][C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3]1.[ClH:29].[ClH:30].[NH:31]1[CH2:32][CH2:33][CH:34]([N:37]2[CH:38]([CH2:42][OH:43])[CH2:39][CH2:40][CH2:41]2)[CH2:35][CH2:36]1>>[CH:1]1([c:4]2[c:5]([C:26](=[O:27])[N:31]3[CH2:32][CH2:33][CH:34]([N:37]4[CH:38]([CH2:42][OH:43])[CH2:39][CH2:40][CH2:41]4)[CH2:35][CH2:36]3)[c:6](-[c:20]3[cH:21][cH:22][n:23][cH:24][cH:25]3)[n:7][n:8]2-[c:9]2[cH:10][c:11]([O:15][C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3]1

참가 물질

4

반응물 3

HCID 313Hydrochloric Acid2회HCID 66901574[1-(Piperidin-4-yl)pyrrolidin-2-yl]methanolHCID 673156045-Cyclopropyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid

생성물 1

HCID 67313865[5-Cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

출처 및 근거

ORD 기록
ord-e3092e73f4a942c181abfd494c9893e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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