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

HRID 2139136
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반응식

HRID 2139136 반응식
[CH3:1][c:2]1[c:3]([C:24](=[O:25])[OH:26])[c:4](-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([O:13][C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12]1.[ClH:27].[ClH:28].[NH:29]1[CH2:30][CH2:31][CH:32]([N:35]2[CH:36]([CH2:40][OH:41])[CH2:37][CH2:38][CH2:39]2)[CH2:33][CH2:34]1>>[CH3:1][c:2]1[c:3]([C:24](=[O:26])[N:29]2[CH2:30][CH2:31][CH:32]([N:35]3[CH:36]([CH2:40][OH:41])[CH2:37][CH2:38][CH2:39]3)[CH2:33][CH2:34]2)[c:4](-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([O:13][C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 313Hydrochloric Acid2회HCID 66901574[1-(Piperidin-4-yl)pyrrolidin-2-yl]methanolHCID 673151905-Methyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid

생성물 1

HCID 67314214[4-[2-(Hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-[5-methyl-3-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanone

출처 및 근거

ORD 기록
ord-92b3a4d3ba3d4616bf05922f7c41bc6f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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