Acetate → Ethyl 3-[3-butoxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]-2-methylprop-2-enoate

HRID 120959Notes

Reaction equation

HRID 120959 reaction equation
[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH2:26]([CH2:27][CH2:28][CH3:29])[O:30][c:31]1[cH:32][c:33]([CH:38]=[C:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45])[cH:34][cH:35][c:36]1[I:37].[CH3:46][N:47]([C:48](=[O:49])[NH:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[c:56]1[cH:57][c:58]([B:62]([OH:63])[OH:64])[cH:59][cH:60][cH:61]1.[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl-:78].[K+:70].[K+:71].[K+:72].[NH4+:79].[P:65]([O-:66])([O-:67])([O-:68])=[O:69].[Pd+2:84]>>[CH2:26]([CH2:27][CH2:28][CH3:29])[O:30][c:31]1[cH:32][c:33]([CH:38]=[C:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45])[cH:34][cH:35][c:36]1-[c:58]1[cH:57][c:56]([N:47]([CH3:46])[C:48](=[O:49])[NH:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[cH:61][cH:60][cH:59]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 672732723-(1-Methyl-3-pentylureido)phenylboronic acidHCID 91243702Ethyl 3-(3-butoxy-4-iodophenyl)-2-methylprop-2-enoate

Product 1

HCID 91458561Ethyl 3-[3-butoxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]-2-methylprop-2-enoate

Sources & evidence

ORD record
ord-382bed5e5b4648eabda1aed3816d25be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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