Methyl cyanoacetate → 3-[4-Chloro-3-(2-cyano-2-methoxycarbonylethenyl)-phenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

HRID 283878Notes

Reaction equation

HRID 283878 reaction equation
[CH2:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6]#[N:7].[CH:36]([O:37][CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:14][c:15]1[c:16]([CH:34]=[O:35])[cH:17][c:18](-[n:21]2[c:22](=[O:33])[n:23]([CH3:32])[c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][c:26]2=[O:27])[cH:19][cH:20]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH3:1][O:2][C:3](=[O:4])[C:5]([C:6]#[N:7])=[CH:34][c:16]1[c:15]([Cl:14])[cH:20][cH:19][c:18](-[n:21]2[c:22](=[O:33])[n:23]([CH3:32])[c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][c:26]2=[O:27])[cH:17]1

Participants

6

Reactant 5

HCID 7747Methyl cyanoacetateHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 8082PiperidineHCID 212012252-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzaldehyde

Product 1

HCID 702315503-[4-Chloro-3-(2-cyano-2-methoxycarbonylethenyl)-phenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

Sources & evidence

ORD record
ord-b5c14d0253fc480aa1a87b2eccaf4f7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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