1,3-Benzodioxole → [4-(1,3-Benzodioxol-5-yl)-2-fluorophenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

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.[CH2:25]1[O:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[O:33]1>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]3[c:32]([cH:31]2)[O:33][CH2:25][O:26]3)[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

반응물 3

HCID 92291,3-Benzodioxole

HCID 61668Boronic Acid

HCID 11966062(4-Bromo-2-fluoro-phenyl)-(2-pyrrolidin-1-ylmethyl-pyrrolidin-yl)methanone

생성물 1

HCID 11502132[4-(1,3-Benzodioxol-5-yl)-2-fluorophenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

출처 및 근거

ORD 기록: ord-a91399c496f141158b8f7d8d7b037b0a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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