Acetate → Methyl 3-[4-(indan-2-yloxy)-3-(1-methyl-1H-indazol-5-yl)-5-nitrophenyl]propionate

HRID 700189Notes

Reaction equation

HRID 700189 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]1[O:8][CH:9]1[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1.[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH2:83]1[O:84][CH2:85][CH2:86][CH2:87]1.[CH3:27][n:28]1[n:29][cH:30][c:31]2[cH:32][c:33]([B:37]([OH:38])[OH:39])[cH:34][cH:35][c:36]12.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[K+:64].[K+:65].[K+:66].[OH2:67].[P:59]([O-:60])([O-:61])([O-:62])=[O:63].[Pd+2:72].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:2]1(-[c:33]2[cH:32][c:31]3[cH:30][n:29][n:28]([CH3:27])[c:36]3[cH:35][cH:34]2)[cH:3][c:4]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]1[O:8][CH:9]1[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 225589101-Methyl-1H-indazole-5-boronic acidHCID 22559301Methyl 3-[3-bromo-4-(indan-2-yloxy)-5-nitrophenyl]propionate

Product 1

HCID 23658575Methyl 3-[4-(indan-2-yloxy)-3-(1-methyl-1H-indazol-5-yl)-5-nitrophenyl]propionate

Sources & evidence

ORD record
ord-3b292b423faf4cf5b48a1f28918f5254
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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