2-Chloro-p-toluidine → N-(2-chloro-4-methylphenyl)-4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxamide

HRID 198070

반응식

HRID 198070 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.[Cl:24][c:25]1[c:26]([NH2:27])[cH:28][cH:29][c:30]([CH3:32])[cH:31]1>>[C:1](=[O: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)[NH:27][c:26]1[c:25]([Cl:24])[cH:31][c:30]([CH3:32])[cH:29][cH:28]1

참가 물질

3

반응물 2

HCID 120072-Chloro-p-toluidineHCID 231496734-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

생성물 1

HCID 178426545N-(2-chloro-4-methylphenyl)-4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxamide

출처 및 근거

ORD 기록
ord-f4fa870216df43f9b09bc5fd7a4a063c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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