Acetone → methyl N-[4-[[2-(dimethylamino)acetyl]amino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate

HRID 693371Notes

Reaction equation

HRID 693371 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]=[C:7]=[S:8].[CH3:29][C:30](=[O:31])[CH3:32].[NH2:9][c:10]1[c:11]([NH:21][C:22]([CH2:23][N:24]([CH3:25])[CH3:26])=[O:27])[cH:12][cH:13][c:14]([NH:16][C:17](=[O:18])[O:19][CH3:20])[cH:15]1.[OH2:28]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[NH:6][C:7](=[S:8])[NH:9][c:10]1[c:11]([NH:21][C:22]([CH2:23][N:24]([CH3:25])[CH3:26])=[O:27])[cH:12][cH:13][c:14]([NH:16][C:17](=[O:18])[O:19][CH3:20])[cH:15]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 85320Ethyl isothiocyanatoformateHCID 21483024N-(2-amino-4-methoxycarbonylaminophenyl)-2-dimethylaminoacetamide

Product 1

HCID 21483028methyl N-[4-[[2-(dimethylamino)acetyl]amino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate

Sources & evidence

ORD record
ord-ec5197f5083a4cd7bf9a093f89910408
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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