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Acetic Acid → N-[1-(2,6-Diethoxy-4'-fluoro-biphenyl-4-ylmethyl)-piperidin-4-yl]-3-hydroxymethyl-5-methoxy-benzamide

HRID 1557060
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HRID 1557060 반응식
[C:55]([BH3-:56])#[N:57].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]3[cH:17][c:18]([CH2:24][OH:25])[cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:26])[CH2:12][CH2:13]2)[cH:27][c:28]([O:31][CH2:32][CH3:33])[c:29]1[F:30].[CH2:34]([O:35][c:36]1[cH:37][c:38]([CH:39]=[O:40])[cH:41][c:42]([O:43][CH2:44][CH3:45])[c:46]1-[c:48]1[cH:49][cH:50][c:51]([F:54])[cH:52][cH:53]1)[CH3:47].[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH3:68][CH2:69][OH:70].[CH3:71][C:72](=[O:73])[OH:74].[Na+:58]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]3[cH:17][c:18]([CH2:24][OH:25])[cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:26])[CH2:12][CH2:13]2)[cH:27][c:28]([O:31][CH2:32][CH3:33])[c:29]1-[c:48]1[cH:49][cH:50][c:51]([F:54])[cH:52][cH:53]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium IonHCID 81531DiisopropylethylamineHCID 498716Cyano-borohydrideHCID 593831002,6-Diethoxy-4'-fluoro-biphenyl-4-carbaldehydeHCID 68458782N-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-3-hydroxymethyl-5-methoxy-benzamide

생성물 1

HCID 68455800N-[1-(2,6-Diethoxy-4'-fluoro-biphenyl-4-ylmethyl)-piperidin-4-yl]-3-hydroxymethyl-5-methoxy-benzamide

출처 및 근거

ORD 기록
ord-b63daf97b75b46e3b999cba9fffc1567
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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