4-(chloromethyl)-N,N-dimethylbenzamide → 4-[[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]-N,N-dimethylbenzamide

반응식

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

참가 물질

반응물 2

HCID 184650934-(chloromethyl)-N,N-dimethylbenzamide

HCID 68579340(3-Fluoro-4-hydroxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

생성물 1

HCID 115181164-[[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]-N,N-dimethylbenzamide

출처 및 근거

ORD 기록: ord-d386c189895047edae38d9eb131f968f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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