Ethyl Acetate → Ethyl 4-(4-chlorophenyl)-2-pentenoate

HRID 1139521Notes

Reaction equation

HRID 1139521 reaction equation
[C:12](=[O:13])([O:14][CH2:15][CH3:16])[CH:17]=[P:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]=[O:10])[CH3:11])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]=[CH:17][C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH3:11])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8857Ethyl Acetate2×HCID 8900HeptaneHCID 312751,4-DioxaneHCID 70670Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl esterHCID 5870362-(4-Chlorophenyl)propanal

Product 1

HCID 54104672Ethyl 4-(4-chlorophenyl)-2-pentenoate

Sources & evidence

ORD record
ord-695b1f940106417d8d0712e128e3ed6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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