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

HRID 1200689
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HRID 1200689 반응식
[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[OH2:76].[SH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:1]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[NH:10][CH:11]2[C:12](=[O:24])[O:13][CH:14]([CH2:16][S:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:15]2)[cH:5][cH:6]1.[c:31]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:39][cH:40][c:41]([S:42](=[O:38])([NH:43][CH:44]([CH2:45][CH:46]2[O:47][CH2:48]2)[C:49]([O:50][CH3:51])=[O:52])=[O:53])[cH:54][cH:55]1.[cH:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:1]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[NH:10][CH:11]([C:12]([OH:13])=[O:24])[CH2:15][CH:14]([CH2:16][S:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[OH:38])[cH:5][cH:6]1
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7

반응물 6

HCID 241BenzeneHCID 962WaterHCID 7969ThiophenolHCID 8471TriethylamineHCID 23508251Methyl 2-[[(1,1'-biphenyl)-4-yl]sulfonyl]amino-4,5-epoxypentanoateHCID 235082763-[[(1,1'-Biphenyl)-4-yl]sulfonyl]amino-2-oxo-5-[(phenylthio)methyl]-tetrahydrofuran

생성물 1

HCID 23508293
2-[[(1,1'-biphenyl)-4-yl]sulfonyl]amino-4-hydroxy-5-(phenylthio)-pentanoic Acid

출처 및 근거

ORD 기록
ord-e7ab712a99b54111b3fbf3ce1305cbe0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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