Acetate → Methyl 3-[3-butoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-methoxyprop-2-enoate

HRID 215155Notes

Reaction equation

HRID 215155 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:13]=[C:14]([C:15](=[O:16])[O:17][CH3:18])[O:19][CH3:20])[cH:9][cH:10][c:11]1[I:12].[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[NH:28][C:29]([N:30]([CH3:31])[c:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1)=[O:41].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[K+:47].[K+:48].[K+:49].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:50].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:56]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:13]=[C:14]([C:15](=[O:16])[O:17][CH3:18])[O:19][CH3:20])[cH:9][cH:10][c:11]1-[c:34]1[cH:33][c:32]([N:30]([C:29]([NH:28][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])=[O:41])[CH3:31])[cH:37][cH:36][cH:35]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 115583693-(3-Heptyl-1-methylureido)phenylboronic acidHCID 68430459Methyl 3-(3-butoxy-4-iodophenyl)-2-methoxyprop-2-enoate

Product 1

HCID 72330334Methyl 3-[3-butoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-methoxyprop-2-enoate

Sources & evidence

ORD record
ord-5b949c05043344438fc04b4fc3da32ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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