4-Cyanophenylacetic acid → 2-(4-Cyano-phenyl)-N-[(3RS,4SR)-1-(1-cyclopropylmethyl-piperidine-4-carbonyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-N-methyl-acetamide

반응식

[C:28](#[N:29])[c:30]1[cH:31][cH:32][c:33]([CH2:36][C:37](=[O:38])[OH:39])[cH:34][cH:35]1.[CH:1]1([CH2:4][N:5]2[CH2:6][CH2:7][CH:8]([C:11](=[O:12])[N:13]3[CH2:14][CH:15]([c:20]4[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]4)[CH:16]([NH:18][CH3:19])[CH2:17]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][N:5]2[CH2:6][CH2:7][CH:8]([C:11](=[O:12])[N:13]3[CH2:14][CH:15]([c:20]4[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]4)[CH:16]([N:18]([CH3:19])[C:37]([CH2:36][c:33]4[cH:32][cH:31][c:30]([C:28]#[N:29])[cH:35][cH:34]4)=[O:39])[CH2:17]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1

참가 물질

반응물 2

HCID 795874-Cyanophenylacetic acid

HCID 67025771(1-cyclopropylmethyl-piperidin-4-yl)-[(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-methylamino-pyrrolidin-1-yl]-methanone

생성물 1

HCID 670262222-(4-Cyano-phenyl)-N-[(3RS,4SR)-1-(1-cyclopropylmethyl-piperidine-4-carbonyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-N-methyl-acetamide

출처 및 근거

ORD 기록: ord-111b22f1799f432ba6c8be31ae76365c
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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