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Hydrochloric Acid → 2-[6-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-4-yl]-4-(1H-imidazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one

HRID 663596
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반응식

HRID 663596 반응식
[CH2:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH:33]([CH3:34])[CH3:35])[CH3:36].[Cl:2][c:3]1[cH:4][c:5](-[n:9]2[nH:10][cH:11][c:12](-[n:15]3[cH:16][n:17][cH:18][cH:19]3)[c:13]2=[O:14])[n:6][cH:7][n:8]1.[ClH:1].[ClH:20].[F:21][C:22]1([F:27])[CH2:23][NH:24][CH2:25][CH2:26]1.[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[c:3]1([N:24]2[CH2:23][C:22]([F:21])([F:27])[CH2:26][CH2:25]2)[cH:4][c:5](-[n:9]2[nH:10][cH:11][c:12](-[n:15]3[cH:16][n:17][cH:18][cH:19]3)[c:13]2=[O:14])[n:6][cH:7][n:8]1
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참가 물질

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반응물 5

HCID 313Hydrochloric Acid2회HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 27828273,3-DifluoropyrrolidineHCID 579250782-(6-chloropyrimidin-4-yl)-4-imidazol-1-yl-1H-pyrazol-3-one

생성물 1

HCID 444648682-[6-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-4-yl]-4-(1H-imidazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one

출처 및 근거

ORD 기록
ord-45efca7fd4cf47a793d6593cd2925892
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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