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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Tetrahydrofuran → 5-Bromo-1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-pentan-1-one

HRID 1536422
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반응식

HRID 1536422 반응식
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[Cl:8].[CH2:36]([N:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[CH3:42].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:9][c:10]1[cH:11][c:12]([CH:17]2[CH:18]([N:22]([CH3:23])[CH2:24][c:25]3[cH:26][c:27]([F:35])[c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[CH2:19][NH:20][CH2:21]2)[cH:13][cH:14][c:15]1[Cl:16]>>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[N:20]1[CH2:19][CH:18]([N:22]([CH3:23])[CH2:24][c:25]2[cH:26][c:27]([F:35])[c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[CH:17]([c:12]2[cH:11][c:10]([Cl:9])[c:15]([Cl:16])[cH:14][cH:13]2)[CH2:21]1
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참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 5211735-Bromovaleryl chlorideHCID 75231672[(3RS,4SR)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amine

생성물 1

HCID 722534755-Bromo-1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-pentan-1-one

출처 및 근거

ORD 기록
ord-6afc408c11f94efd9a465836c4eef0bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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