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Acetic Acid → [3-(4-Bromo-2-{[2-(4-fluoro-phenyl)-1,1-dimethyl-ethylamino]-methyl}-phenoxy)-phenyl]-acetic acid methyl ester

HRID 830668
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인쇄 미리보기

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HRID 830668 반응식
[C:34]([BH3-:35])#[N:36].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][c:12]2[c:13]([CH:19]=[O:20])[cH:14][c:15]([Br:18])[cH:16][cH:17]2)[cH:8][cH:9][cH:10]1)=[O:21].[CH3:43][OH:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][C:52](=[O:53])[OH:54].[F:22][c:23]1[cH:24][cH:25][c:26]([CH2:29][C:30]([CH3:31])([CH3:32])[NH2:33])[cH:27][cH:28]1.[Na+:37].[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][c:12]2[c:13]([CH2:19][NH:33][C:30]([CH2:29][c:26]3[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]3)([CH3:31])[CH3:32])[cH:14][c:15]([Br:18])[cH:16][cH:17]2)[cH:8][cH:9][cH:10]1)=[O:21]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 5184711-(4-Fluorophenyl)-2-methyl-2-aminopropane
HCID 58237467
[3-(4-Bromo-2-formyl-phenoxy)-phenyl]-acetic acid methyl ester

생성물 1

HCID 58288539[3-(4-Bromo-2-{[2-(4-fluoro-phenyl)-1,1-dimethyl-ethylamino]-methyl}-phenoxy)-phenyl]-acetic acid methyl ester

출처 및 근거

ORD 기록
ord-6755382dde55424d90151c40b162c2c6
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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