Tetrahydrofuran → 2-(Bis-methylsulfanyl-methyleneamino)-1-(10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo(5.2.1.0 1,5)dec-4-yl)-3-(2-vinyl-phenyl)-propan-1-one

HRID 179432

Reaction equation

HRID 179432 reaction equation
[CH2:24]([Li:25])[CH2:26][CH2:27][CH3:28].[CH3:1][S:2][C:3](=[N:4][CH2:5][C:6](=[O:7])[N:8]1[S:9](=[O:20])(=[O:21])[CH2:10][C:11]23[CH:12]1[CH2:13][CH:14]([CH2:15][CH2:16]2)[C:17]3([CH3:18])[CH3:19])[S:22][CH3:23].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[I:35][CH2:36][c:37]1[c:38]([CH:43]=[CH2:44])[cH:39][cH:40][cH:41][cH:42]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH3:1][S:2][C:3](=[N:4][CH:5]([C:6](=[O:7])[N:8]1[S:9](=[O:20])(=[O:21])[CH2:10][C:11]23[CH:12]1[CH2:13][CH:14]([CH2:15][CH2:16]2)[C:17]3([CH3:18])[CH3:19])[CH2:36][c:37]1[c:38]([CH:43]=[CH2:44])[cH:39][cH:40][cH:41][cH:42]1)[S:22][CH3:23]

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 8058HexaneHCID 144302172-(Bis-methylsulfanyl-methyleneamino)-1-(10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo(5.2.1.0 1,5)dec-4-yl)-ethanoneHCID 158305741-Ethenyl-2-(iodomethyl)benzeneHCID 178418339Butyllithium

Product 1

HCID 186125232-(Bis-methylsulfanyl-methyleneamino)-1-(10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo(5.2.1.0 1,5)dec-4-yl)-3-(2-vinyl-phenyl)-propan-1-one

Sources & evidence

ORD record
ord-dba7af282d5d418ab1bad9f920438102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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