Sodium ion → Ethyl 3-phenylprop-2-enoate

HRID 1145836Notes

Reaction equation

HRID 1145836 reaction equation
[C:10]([CH:11]=[CH2:12])(=[O:13])[O:14][CH2:15][CH3:16].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:65][CH2:66][O:67][CH2:68][CH3:69].[CH:46](=[CH:47][C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)=[O:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[I-:8].[Na+:9].[Pd:64].[c:24]1([CH3:25])[cH:26][cH:27][cH:28][cH:29][c:30]1[P:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45]>>[c:2]1([CH:12]=[CH:11][C:10](=[O:13])[O:14][CH2:15][CH3:16])[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 3283Diethyl EtherHCID 7964ChlorobenzeneHCID 8471TriethylamineHCID 8821Ethyl AcrylateHCID 23938PalladiumHCID 30165Iodide IonHCID 80271Tri-o-tolylphosphineHCID 95417Dibenzylidene acetone

Product 1

HCID 7649Ethyl 3-phenylprop-2-enoate

Sources & evidence

ORD record
ord-c09eb036eb6f4ec6a15b7252a17b6f1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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