m-Toluidine → 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide

HRID 96734

반응식

HRID 96734 반응식
[C:1](=[O:2])([OH:3])[C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[NH2:24][c:25]1[cH:26][c:27]([CH3:31])[cH:28][cH:29][cH:30]1>>[C:1](=[O:2])([C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2)[NH:24][c:25]1[cH:26][c:27]([CH3:31])[cH:28][cH:29][cH:30]1

참가 물질

3

반응물 2

HCID 7934m-ToluidineHCID 231496734-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

생성물 1

HCID 1784255554-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide

출처 및 근거

ORD 기록
ord-7e61546b5a0948c0a784440fc361e1af
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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