Phosgene → (5-Chlorothiophen-2-yl)methyl 5-(2,2-difluorohex-5-ynoyloxymethylidene)-2,4-dioxo-1,3-thiazolidine-3-carboxylate

HRID 1544374Notes

Reaction equation

HRID 1544374 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:19][C:20]([Cl:21])=[O:22].[Cl:23][C:24]([Cl:25])([O:26][C:27](=[O:28])[O:29][C:30]([Cl:31])([Cl:32])[Cl:33])[Cl:34].[Cl:35][c:36]1[cH:37][cH:38][c:39]([CH2:41][OH:42])[s:40]1.[F:1][C:2]([C:3](=[O:4])[O:5][CH:6]=[C:7]1[C:8](=[O:13])[NH:9][C:10](=[O:12])[S:11]1)([CH2:14][CH2:15][C:16]#[CH:17])[F:18]>>[F:1][C:2]([C:3](=[O:4])[O:5][CH:6]=[C:7]1[C:8](=[O:13])[N:9]([C:20](=[O:22])[O:42][CH2:41][c:39]2[cH:38][cH:37][c:36]([Cl:35])[s:40]2)[C:10](=[O:12])[S:11]1)([CH2:14][CH2:15][C:16]#[CH:17])[F:18]

Participants

6

Reactant 5

HCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 94429TriphosgeneHCID 12554178(5-Chlorothiophen-2-yl)methanolHCID 91239817(2,4-Dioxo-1,3-thiazolidin-5-ylidene)methyl 2,2-difluorohex-5-ynoate

Product 1

HCID 73712441(5-Chlorothiophen-2-yl)methyl 5-(2,2-difluorohex-5-ynoyloxymethylidene)-2,4-dioxo-1,3-thiazolidine-3-carboxylate

Sources & evidence

ORD record
ord-6863f26b377d492fb8bf4c118f4f3a2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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