3-(3-([(Tert-butoxycarbonyl)amino]methyl)-4-methoxyphenyl]-2-isopropoxypropanoate → 2-Isopropoxy-3-[4-methoxy-3-([2-propoxy-4-(trifluoromethyl)benzoyl]aminomethyl)phenyl]propanoic acid

HRID 173955

반응식

HRID 173955 반응식
[C:18]([O:19][C:20](=[O:21])[NH:25][CH2:26][c:27]1[cH:28][c:29]([CH2:35][CH:36]([C:37](=[O:38])[O-:39])[O:40][CH:41]([CH3:42])[CH3:43])[cH:30][cH:31][c:32]1[O:33][CH3:34])([CH3:22])([CH3:23])[CH3:24].[CH2:1]([CH2:2][CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1>>[CH2:1]([CH2:2][CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[NH:25][CH2:26][c:27]2[cH:28][c:29]([CH2:35][CH:36]([C:37](=[O:38])[OH:39])[O:40][CH:41]([CH3:42])[CH3:43])[cH:30][cH:31][c:32]2[O:33][CH3:34])[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1

참가 물질

3

반응물 2

HCID 224939543-(3-([(Tert-butoxycarbonyl)amino]methyl)-4-methoxyphenyl]-2-isopropoxypropanoateHCID 224941922-Propoxy-4-(trifluoromethyl)benzoic acid

생성물 1

HCID 224940422-Isopropoxy-3-[4-methoxy-3-([2-propoxy-4-(trifluoromethyl)benzoyl]aminomethyl)phenyl]propanoic acid

출처 및 근거

ORD 기록
ord-1828feaca2cc49148b5036b710c3db11
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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