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Acetic Acid → 2-{3-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylcarbamoyl]-5-methoxy-phenoxy}-2-methyl-propionic acid ethyl ester

HRID 1545821
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반응식

HRID 1545821 반응식
[C:40]([BH3-:41])#[N:42].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([O:24][CH3:25])[cH:12][c:13]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)=[O:23])[cH:14]1)=[O:26].[CH2:27]([CH3:28])[O:29][c:30]1[cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36][c:37]1[O:38][CH3:39].[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH3:53][CH2:54][OH:55].[CH3:56][C:57](=[O:58])[OH:59].[Na+:43]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([O:24][CH3:25])[cH:12][c:13]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:33][c:32]3[cH:31][c:30]([O:29][CH2:27][CH3:28])[c:37]([O:38][CH3:39])[cH:36][cH:35]3)[CH2:21][CH2:22]2)=[O:23])[cH:14]1)=[O:26]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium IonHCID 81531DiisopropylethylamineHCID 2447283-Ethoxy-4-methoxybenzaldehydeHCID 498716Cyano-borohydrideHCID 684567162-[3-Methoxy-5-(piperidin-4-ylcarbamoyl)-phenoxy]-2-methyl-propionic acid ethyl ester

생성물 1

HCID 684572152-{3-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylcarbamoyl]-5-methoxy-phenoxy}-2-methyl-propionic acid ethyl ester

출처 및 근거

ORD 기록
ord-20fc758035d54610802432fd316cc13c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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