2-(4-formylphenyl)acetic Acid → Pivalic acid 6-{2-[(4-carboxymethylbenzyl)ethylamino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-yl ester

반응식

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

참가 물질

반응물 2

HCID 113441872-(4-formylphenyl)acetic Acid

HCID 579340956-(2-(Ethylamino)-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl pivalate

생성물 1

HCID 66627566Pivalic acid 6-{2-[(4-carboxymethylbenzyl)ethylamino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-yl ester

출처 및 근거

ORD 기록: ord-0bed2d02d3ee4d90876079f233e3a01a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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