Pyrrolidine → [2-(Pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone

반응식

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

참가 물질

반응물 2

HCID 31268Pyrrolidine

HCID 67371292[2-(Hydroxymethyl)pyrrolidin-1-yl]-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone

생성물 1

HCID 11689901[2-(Pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone

출처 및 근거

ORD 기록: ord-6ab437a1db0d40688d08299bfaaa58f5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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