Acetate → Butyl 3-(2-methyl-4-nitrophenyl)but-2-enoate

HRID 109186Notes

Reaction equation

HRID 109186 reaction equation
[Br:1][c:2]1[c:3]([CH3:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:15]([O-:16])(=[O:17])[CH3:18].[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][CH2:25][CH2:26][CH2:27][CH3:28].[C:34]([O-:35])(=[O:36])[CH3:37].[C:39]([O-:40])(=[O:41])[CH3:42].[CH3:30][C:31](=[O:32])[O-:33].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Na+:19].[Na+:29].[OH2:12].[OH2:13].[OH2:14].[OH2:43].[Pd+2:38]>>[c:2]1([C:22]([CH3:15])=[CH:21][C:20](=[O:23])[O:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:3]([CH3:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate4×HCID 923Sodium ion2×HCID 962Water4×HCID 8846Butyl AcrylateHCID 13387N-methyl-2-pyrrolidoneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2516721-Bromo-2-methyl-4-nitrobenzene

Product 1

HCID 91034515Butyl 3-(2-methyl-4-nitrophenyl)but-2-enoate

Sources & evidence

ORD record
ord-7f58f60de83a4e3aa1ea037dd6a56931
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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