2-Methyltetrahydrofuran → 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide

HRID 183845

반응식

HRID 183845 반응식
[CH2:23]1[CH:24]2[N:25]([CH2:26][CH2:27][NH:28]1)[CH2:29][CH2:30][CH2:31]2.[CH3:32][N:33]([CH3:34])[C:35](=[O:36])[CH3:37].[CH3:38][CH:39]1[CH2:40][CH2:41][CH2:42][O:43]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:12](=[O:13])(=[O:14])[NH:15][c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)[c:9]([F:11])[cH:10]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[N:28]2[CH2:23][CH:24]3[N:25]([CH2:26][CH2:27]2)[CH2:29][CH2:30][CH2:31]3)[cH:7][c:8]([S:12](=[O:13])(=[O:14])[NH:15][c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)[c:9]([F:11])[cH:10]1

참가 물질

5

반응물 4

HCID 73012-MethyltetrahydrofuranHCID 31374DimethylacetamideHCID 558578Octahydropyrrolo(1,2-a)pyrazineHCID 666758672-Chloro-4-fluoro-5-{[(2-fluorophenyl)amino]sulfonyl}benzoic acid

생성물 1

HCID 752324195-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide

출처 및 근거

ORD 기록
ord-3dab8ea5849e481eb76df053303d1cfb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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