Bromide ion → Ethyl 5-phenyl-5-(2-propyl)-4-pentenoate

HRID 2329115Notes

Reaction equation

HRID 2329115 reaction equation
[Br-:1].[C:35]([CH:36]([CH3:37])[CH3:38])(=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][CH2:8][CH2:9][P+:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[Cl-:47].[K+:34].[Na+:46].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:53]>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][CH2:8][CH:9]=[C:35]([CH:36]([CH3:37])[CH3:38])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 312ChlorideHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 69144IsobutyrophenoneHCID 500024Ethyl 4-(triphenylphosphoranyl)butanoateHCID 45749132-Methylpropan-2-olate

Product 1

HCID 70170870Ethyl 5-phenyl-5-(2-propyl)-4-pentenoate

Sources & evidence

ORD record
ord-3ece329d2d1548fe9112648d85c4a07d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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