Chloride → Ethyl 2-(diethoxyphosphoryl)-3-(4-nitrophenyl)prop-2-enoate

HRID 1555858Notes

Reaction equation

HRID 1555858 reaction equation
[CH2:17]([CH3:18])[O:19][P:20](=[O:21])([O:22][CH2:23][CH3:24])[CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30].[CH3:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[Cl-:38].[Cl-:39].[Cl-:40].[Cl-:41].[N+:6](=[O:7])([O-:8])[c:9]1[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]1.[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:43].[Ti+4:42]>>[N+:6](=[O:7])([O-:8])[c:9]1[cH:10][cH:11][c:12]([CH:13]=[C:25]([P:20]([O:19][CH2:17][CH3:18])(=[O:21])[O:22][CH2:23][CH3:24])[C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:15][cH:16]1

Participants

8

Reactant 7

HCID 312Chloride4×HCID 5414-NitrobenzaldehydeHCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 13345Triethyl phosphonoacetateHCID 114942Titanium cation (4+)

Product 1

HCID 367443Ethyl 2-(diethoxyphosphoryl)-3-(4-nitrophenyl)prop-2-enoate

Sources & evidence

ORD record
ord-7d04b915c6b34fb78ddff3a652867064
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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