Tetrahydrofuran → 1-(5-Tert-butyl-2-(1-(2-(dimethylamino)ethyl)-3,3-dimethyl-2-oxopiperazine-4-carbonyl)thiophen-3-yl)-3-(2,3-dichlorophenyl)urea

HRID 687792Notes

Reaction equation

HRID 687792 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:27][c:28]1[c:29]([Cl:37])[c:30]([N:34]=[C:35]=[O:36])[cH:31][cH:32][cH:33]1.[NH2:1][c:2]1[cH:3][c:4]([C:23]([CH3:24])([CH3:25])[CH3:26])[s:5][c:6]1[C:7](=[O:8])[N:9]1[C:10]([CH3:21])([CH3:22])[C:11](=[O:20])[N:12]([CH2:15][CH2:16][N:17]([CH3:18])[CH3:19])[CH2:13][CH2:14]1>>[NH:1]([c:2]1[cH:3][c:4]([C:23]([CH3:24])([CH3:25])[CH3:26])[s:5][c:6]1[C:7](=[O:8])[N:9]1[C:10]([CH3:21])([CH3:22])[C:11](=[O:20])[N:12]([CH2:15][CH2:16][N:17]([CH3:18])[CH3:19])[CH2:13][CH2:14]1)[C:35]([NH:34][c:30]1[c:29]([Cl:37])[c:28]([Cl:27])[cH:33][cH:32][cH:31]1)=[O:36]

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 330501,2-Dichloro-3-isocyanatobenzeneHCID 586791234-(4-Amino-2-tert-butylthiophene-5-carbonyl)-1-(2-(dimethylamino)ethyl)-3,3-dimethylpiperazin-2-one

Product 1

HCID 586794051-(5-Tert-butyl-2-(1-(2-(dimethylamino)ethyl)-3,3-dimethyl-2-oxopiperazine-4-carbonyl)thiophen-3-yl)-3-(2,3-dichlorophenyl)urea

Sources & evidence

ORD record
ord-7082402900604d9cbe0e47803a1e2b85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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