Thiophenol → S-phenyl 3-[(4-bromo-2-methylphenyl)amino]-3-oxopropanethioate

HRID 184185Notes

Reaction equation

HRID 184185 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:15])[c:5]([NH:8][C:9]([CH2:10][C:11](=[O:12])[OH:13])=[O:14])[cH:6][cH:7]1.[Br:23][c:24]1[cH:25][cH:26][c:27]([NH:28][C:29](=[O:30])[CH2:31][C:32]([N:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[C:40]([NH:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)=[O:48])=[O:49])[c:50]([CH3:51])[cH:52]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[SH:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:15])[c:5]([NH:8][C:9]([CH2:10][C:11](=[O:13])[S:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:14])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 7969ThiophenolHCID 8028TetrahydrofuranHCID 129348693-[(4-Bromo-2-methylphenyl)amino]-3-oxopropanoic acidHCID 190968861-(3-[(4-Bromo-2-methylphenyl)amino]-3-oxopropanoyl)-1,3-dicyclohexylurea

Product 1

HCID 86745928S-phenyl 3-[(4-bromo-2-methylphenyl)amino]-3-oxopropanethioate

Sources & evidence

ORD record
ord-9d309ff2b56146849bdf3d9b521e4c7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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