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Benzene → 2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-(benzylthio)-pentanoic Acid

HRID 802893
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인쇄 미리보기

반응식

HRID 802893 반응식
[CH2:73]([SH:74])[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]3[C:20](=[O:33])[O:21][CH:22]([CH2:24][S:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:23]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39](-[c:40]2[cH:41][cH:42][c:43]([S:44]([NH:45][CH:46]([CH2:47][CH:48]3[O:49][CH2:50]3)[C:51]([O:52][CH3:53])=[O:54])(=[O:55])=[O:56])[cH:57][cH:58]2)[cH:59][cH:60]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[Na+:65].[O-:61][C:62]([OH:63])=[O:64].[OH2:87].[cH:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]([C:20]([OH:21])=[O:33])[CH2:23][CH:22]([CH2:24][S:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[OH:35])[cH:13][cH:14]2)[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 7509Benzyl mercaptanHCID 8471TriethylamineHCID 12073922Methyl 2-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4,5-epoxypentanoate
HCID 23508270
3-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-2-oxo-5-[(benzylthio)methyl]-tetrahydrofuran

생성물 1

HCID 99357792-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-(benzylthio)-pentanoic Acid

출처 및 근거

ORD 기록
ord-330d67a21f564e2f9e356237af76eb80
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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