Butyl bromide → 1-(4-Butoxyphenyl)cyclopropanecarboxylic Acid {4-[3-(acetylmethylamino)-pyrrolidin-1-yl]phenyl}amide

반응식

[C:1]([CH3:2])(=[O:3])[CH2:4][NH:5][CH:6]1[CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([NH:17][C:18](=[O:19])[C:20]3([c:23]4[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]4)[CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:9][CH2:10]1.[CH2:30]([CH2:31][CH2:32][CH3:33])[Br:34]>>[C:1]([CH3:2])(=[O:3])[CH2:4][NH:5][CH:6]1[CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([NH:17][C:18](=[O:19])[C:20]3([c:23]4[cH:24][cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][CH3:33])[cH:27][cH:28]4)[CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:9][CH2:10]1

참가 물질

반응물 2

HCID 8002Butyl bromide

HCID 865948711-(4-Hydroxyphenyl)cyclopropanecarboxylic Acid {4-[3-(acetylmethylamino)pyrrolidin-1-yl]phenyl}amide

생성물 1

HCID 865948701-(4-Butoxyphenyl)cyclopropanecarboxylic Acid {4-[3-(acetylmethylamino)-pyrrolidin-1-yl]phenyl}amide

출처 및 근거

ORD 기록: ord-939b4e12cfad4066a5592724ae3eba8e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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