Boronic Acid → [2-Fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

HRID 679603

반응식

HRID 679603 반응식
[BH:22]([OH:23])[OH:24].[Br:1][c:2]1[cH:3][c:4]([F:21])[c:5]([C:8](=[O:9])[N:10]2[CH:11]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1.[F:25][C:26]([O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([F:34])[F:35]>>[c:2]1(-[c:30]2[cH:29][c:28]([O:27][C:26]([F:25])([F:34])[F:35])[cH:33][cH:32][cH:31]2)[cH:3][c:4]([F:21])[c:5]([C:8](=[O:9])[N:10]2[CH:11]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 61668Boronic AcidHCID 68010(Trifluoromethoxy)benzeneHCID 11966062(4-Bromo-2-fluoro-phenyl)-(2-pyrrolidin-1-ylmethyl-pyrrolidin-yl)methanone

생성물 1

HCID 11503011[2-Fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

출처 및 근거

ORD 기록
ord-32b1dcacd59840f3b0b3586a1388adcf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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