Methoxyacetic Acid → [5-(2-{[N-ethyl-N-(2-methoxy-acetyl)-amino]-methyl}-4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic acid ethyl ester

반응식

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

참가 물질

반응물 2

HCID 12251Methoxyacetic Acid

HCID 67212445[5-(2-Ethylaminomethyl-4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic acid ethyl ester

생성물 1

HCID 67212302[5-(2-{[N-ethyl-N-(2-methoxy-acetyl)-amino]-methyl}-4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic acid ethyl ester

출처 및 근거

ORD 기록: ord-f5129d2fe17f48a9b8f59a5fbf0f3f76
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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