Acetate → Ethyl 2-ethoxy-3-[3-(2-ethoxyethoxy)-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]prop-2-enoate

HRID 136710Notes

Reaction equation

HRID 136710 reaction equation
[C:81]([O-:82])(=[O:83])[CH3:84].[C:86]([O-:87])(=[O:88])[CH3:89].[CH2:34]([CH3:35])[O:36][CH2:37][CH2:38][O:39][c:40]1[cH:41][c:42]([CH:47]=[C:48]([C:49](=[O:50])[O:51][CH2:52][CH3:53])[O:54][CH2:55][CH3:56])[cH:43][cH:44][c:45]1[I:46].[CH3:57][N:58]([C:59](=[O:60])[NH:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66])[c:67]1[cH:68][c:69]([B:73]([OH:74])[OH:75])[cH:70][cH:71][cH:72]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[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.[K+:31].[K+:32].[K+:33].[OH2:96].[P:26]([O-:27])([O-:28])([O-:29])=[O:30].[Pd+2:85]>>[CH2:34]([CH3:35])[O:36][CH2:37][CH2:38][O:39][c:40]1[cH:41][c:42]([CH:47]=[C:48]([C:49](=[O:50])[O:51][CH2:52][CH3:53])[O:54][CH2:55][CH3:56])[cH:43][cH:44][c:45]1-[c:69]1[cH:68][c:67]([N:58]([CH3:57])[C:59](=[O:60])[NH:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66])[cH:72][cH:71][cH:70]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 672732723-(1-Methyl-3-pentylureido)phenylboronic acidHCID 68957303Ethyl 2-ethoxy-3-[3-(2-ethoxyethoxy)-4-iodophenyl]prop-2-enoate

Product 1

HCID 91027029Ethyl 2-ethoxy-3-[3-(2-ethoxyethoxy)-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]prop-2-enoate

Sources & evidence

ORD record
ord-1207e5d6bb1c45bda376283f1ffc0a55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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