(RS)-Ethoxy-(2-fluoro-4-methoxy-phenyl)-acetic acid → (RS)-N-(4-cyano-2-phenoxy-benzyl)-2-ethoxy-2-(2-fluoro-4-methoxy-phenyl)-acetamide

반응식

[CH2:1]([CH3:2])[O:3][CH:4]([C:5](=[O:6])[OH:7])[c:8]1[c:9]([F:16])[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1.[NH2:17][CH2:18][c:19]1[c:20]([O:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1>>[CH2:1]([CH3:2])[O:3][CH:4]([C:5](=[O:7])[NH:17][CH2:18][c:19]1[c:20]([O:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1)[c:8]1[c:9]([F:16])[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1

참가 물질

반응물 2

HCID 21904991(RS)-Ethoxy-(2-fluoro-4-methoxy-phenyl)-acetic acid

HCID 219056924-Aminomethyl-3-phenoxy-benzonitrile

생성물 1

HCID 21905208(RS)-N-(4-cyano-2-phenoxy-benzyl)-2-ethoxy-2-(2-fluoro-4-methoxy-phenyl)-acetamide

출처 및 근거

ORD 기록: ord-b1a607f64e054cba9e9f33aeec9efbc6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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