Benzene → 2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-3-phenylmethoxy-4-hydroxy-5-[(2-thiazolyl)thio]-pentanoic Acid

HRID 87780Notes

Reaction equation

HRID 87780 reaction equation
[CH2:75]([N:76]([CH2:77][CH3:78])[CH2:79][CH3:80])[CH3:81].[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:39])[O:21][CH:22]([CH2:32][S:33][c:34]4[s:35][cH:36][cH:37][n:38]4)[CH:23]3[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:40][O:41][c:42]1[cH:43][cH:44][c:45](-[c:46]2[cH:47][cH:48][c:49]([S:50]([NH:51][CH:52]([CH:53]([O:54][CH2:55][c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[CH:62]3[O:63][CH2:64]3)[C:65]([O:66][CH3:67])=[O:68])(=[O:69])=[O:70])[cH:71][cH:72]2)[cH:73][cH:74]1.[CH3:94][CH2:95][O:96][C:97](=[O:98])[CH3:99].[OH2:100].[SH:88][c:89]1[s:90][cH:91][cH:92][n:93]1.[cH:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]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:39])[CH:23]([CH:22]([CH2:32][S:33][c:34]3[s:35][cH:36][cH:37][n:38]3)[OH:41])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:13][cH:14]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 23508272Methyl 2-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-3-phenylmethoxy-4,5-epoxypentanoateHCID 235082843-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-2-oxo-4-phenylmethoxy-5-[[(2-thiazolyl)thio]methyl]-tetrahydrofuranHCID 178527881HCID 178527881, compound

Product 1

HCID 235082542-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-3-phenylmethoxy-4-hydroxy-5-[(2-thiazolyl)thio]-pentanoic Acid

Sources & evidence

ORD record
ord-f1269fd590584301b14990cee23ff8f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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