Tetrahydrofuran → ethyl 4-[3-methyl-2-[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]anilino]-4-oxobutanoate

HRID 195672

Reaction equation

HRID 195672 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:32][CH3:33])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20](-[c:24]3[c:25]([NH2:31])[cH:26][cH:27][cH:28][c:29]3[CH3:30])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:34].[CH2:35]([CH3:36])[O:37][C:38]([CH2:39][CH2:40][C:41](=[O:42])[Cl:43])=[O:44].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:32][CH3:33])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20](-[c:24]3[c:25]([NH:31][C:41]([CH2:40][CH2:39][C:38]([O:37][CH2:35][CH3:36])=[O:44])=[O:42])[cH:26][cH:27][cH:28][c:29]3[CH3:30])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:34]

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 84648Butanoic acid, 4-chloro-4-oxo-, ethyl esterHCID 145857623tert-butyl N-[4-[3-(2-amino-6-methylphenyl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

Product 1

HCID 145857693ethyl 4-[3-methyl-2-[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]anilino]-4-oxobutanoate

Sources & evidence

ORD record
ord-e293bbdfdb104f70aaa81dc374e72b6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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