Acetate → Methyl 3-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

HRID 691200Notes

Reaction equation

HRID 691200 reaction equation
[C:42]([P:43]([C:44]([CH3:45])([CH3:46])[CH3:47])[c:48]1[cH:49][cH:50][c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[c:57]1-[c:58]1[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67]1)([CH3:68])([CH3:69])[CH3:70].[C:71](=[O:72])([O-:73])[O-:74].[C:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([Br:32])[c:9]([O:12][CH:13]([CH2:14][OH:15])[c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][c:26]([Cl:31])[c:27]([Cl:30])[cH:28][cH:29]3)[cH:20][cH:21]2)[cH:10][cH:11]1)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41].[Cs+:75].[Cs+:76].[Pd+2:81]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:10][cH:11]1)[O:12][CH:13]([c:16]1[cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][c:26]([Cl:31])[c:27]([Cl:30])[cH:28][cH:29]3)[cH:20][cH:21]1)[CH2:14][O:15]2)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41]

Participants

7

Reactant 6

HCID 175Acetate2×HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734941(1,1'-Binaphthalen)-2-yldi-tert-butylphosphineHCID 66719335Methyl 3-[3-bromo-4-[1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-hydroxyethoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Product 1

HCID 66719190Methyl 3-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Sources & evidence

ORD record
ord-a4d265d839064337a0fdfa921b41aba1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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