Acetate → Tert-butyl 3-[3-chloro-4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate

HRID 164581Notes

Reaction equation

HRID 164581 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:22])[c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:6][cH:7]1.[C:23]([CH:24]=[CH2:25])(=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[OH2:48].[Pd+2:39]>>[c:2]1([CH:25]=[CH:24][C:23](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:3][c:4]([Cl:22])[c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 962WaterHCID 8471TriethylamineHCID 15458tert-Butyl acrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 686541604-[(4-Bromo-2-chlorophenyl)(cyclohexylidene)methyl]phenol

Product 1

HCID 68977251Tert-butyl 3-[3-chloro-4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate

Sources & evidence

ORD record
ord-3426527ccaa241e9a0dac312e1a07355
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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