1,2-Dichloroethane → 3-(3,4-Dimethoxyphenyl)propynoic acid (6-amino-1-ethyl-3-prop-2-ynyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)amide

HRID 98075Notes

Reaction equation

HRID 98075 reaction equation
[CH2:31]([Cl:32])[CH2:33][Cl:34].[CH3:16][O:17][c:18]1[cH:19][c:20]([C:26]#[C:27][C:28](=[O:29])[OH:30])[cH:21][cH:22][c:23]1[O:24][CH3:25].[CH3:35][OH:36].[NH2:1][c:2]1[c:3](=[O:15])[n:4]([CH2:12][C:13]#[CH:14])[c:5](=[O:11])[n:6]([CH2:9][CH3:10])[c:7]1[NH2:8]>>[NH:1]([c:2]1[c:3](=[O:15])[n:4]([CH2:12][C:13]#[CH:14])[c:5](=[O:11])[n:6]([CH2:9][CH3:10])[c:7]1[NH2:8])[C:28]([C:27]#[C:26][c:20]1[cH:19][c:18]([O:17][CH3:16])[c:23]([O:24][CH3:25])[cH:22][cH:21]1)=[O:29]

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 887MethanolHCID 37083353-(3,4-dimethoxyphenyl)prop-2-ynoic AcidHCID 598036905,6-Diamino-1-ethyl-3-propargyluracil

Product 1

HCID 598036863-(3,4-Dimethoxyphenyl)propynoic acid (6-amino-1-ethyl-3-prop-2-ynyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)amide

Sources & evidence

ORD record
ord-7573a1c6e51f40b384e180cd639df946
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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