Acetate → ethyl 3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

HRID 310336Notes

Reaction equation

HRID 310336 reaction equation
[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH2:30]([CH3:31])[O:32][CH2:33][c:34]1[cH:35][c:36]([O:46][CH3:47])[c:37]([O:42][B:43]([OH:44])[OH:45])[c:38]([O:40][CH3:41])[cH:39]1.[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][S:22]([C:23]([F:24])([F:25])[F:26])(=[O:27])=[O:28])[cH:19][cH:20]1)[CH3:29].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[CH3:91][N:92]1[CH2:93][CH2:94][CH2:95][C:96]1=[O:97].[CH:67]([NH:68][CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[OH2:83].[Pd+2:78].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:37]2[c:36]([O:46][CH3:47])[cH:35][c:34]([CH2:33][O:32][CH2:30][CH3:31])[cH:39][c:38]2[O:40][CH3:41])[cH:19][cH:20]1)[CH3:29]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 7912DiisopropylamineHCID 11776TriphenylphosphineHCID 13387N-methyl-2-pyrrolidoneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21988876C17H22F3NO7SHCID 230809502,6-Dimethoxy-4-(ethoxymethyl)phenylboric acid

Product 1

HCID 178467626ethyl 3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Sources & evidence

ORD record
ord-613aae52351048fc88cc96bc5025164c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…