Dimethylformamide → N-(Carbamoylmethyl)-N-(thymin-1-ylacetyl)-beta-alanine ethyl ester

HRID 305352

Reaction equation

HRID 305352 reaction equation
[CH2:17]([CH3:18])[O:19][C:20]([CH2:21][CH2:22][NH:23][CH2:24][C:25]([NH2:26])=[O:27])=[O:28].[CH:29]1([N:30]=[C:31]=[N:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[Cl:14][CH2:15][Cl:16].[Cl:54][CH2:55][Cl:56].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[n:1]1([CH2:10][C:11](=[O:12])[OH:13])[c:2](=[O:3])[nH:4][c:5](=[O:6])[c:7]([CH3:8])[cH:9]1>>[n:1]1([CH2:10][C:11](=[O:13])[N:23]([CH2:22][CH2:21][C:20]([O:19][CH2:17][CH3:18])=[O:28])[CH2:24][C:25]([NH2:26])=[O:27])[c:2](=[O:3])[nH:4][c:5](=[O:6])[c:7]([CH3:8])[cH:9]1

Participants

6

Reactant 5

HCID 6228Dimethylformamide2×HCID 6344Dichloromethane2×HCID 10868DicyclohexylcarbodiimideHCID 8537532-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acidHCID 22737577N-(Carbamoylmethyl)-beta-alanine ethylester

Product 1

HCID 22737569N-(Carbamoylmethyl)-N-(thymin-1-ylacetyl)-beta-alanine ethyl ester

Sources & evidence

ORD record
ord-22f0485e04d6420b88b8600001d50142
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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