Benzene → HCID 178488636, compound

HRID 2334191Notes

Reaction equation

HRID 2334191 reaction equation
[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:31])[O:21][CH:22]([CH2:24][S:25][c:26]4[n:27][nH:28][cH:29][n:30]4)[CH2:23]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37](-[c:38]2[cH:39][cH:40][c:41]([S:42]([NH:43][CH:44]([CH2:45][CH:46]3[O:47][CH2:48]3)[C:49]([O:50][CH3:51])=[O:52])(=[O:53])=[O:54])[cH:55][cH:56]2)[cH:57][cH:58]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[OH2:72].[cH:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]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:31])[CH2:23][CH:22]([CH2:24][S:25][c:26]3[n:27][nH:28][cH:29][n:30]3)[OH:33])[cH:13][cH:14]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 962WaterHCID 8471TriethylamineHCID 12073922Methyl 2-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4,5-epoxypentanoateHCID 178488635HCID 178488635, compound

Product 1

HCID 178488636HCID 178488636, compound

Sources & evidence

ORD record
ord-0beb0a5c87504d839239d80a509187c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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