Acetate → tert-butyl 2-[5-(4-carbamoylphenyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

HRID 2160725Notes

Reaction equation

HRID 2160725 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH:15]3[CH2:16][CH2:17][c:18]4[cH:19][c:20]([Br:24])[cH:21][cH:22][c:23]43)[CH2:14]2)[CH2:25][CH2:26]1.[C:27]([NH2:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:39]([NH:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:46].[Pd+2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH:15]3[CH2:16][CH2:17][c:18]4[cH:19][c:20](-[c:33]5[cH:32][cH:31][c:30]([C:27]([NH2:28])=[O:29])[cH:35][cH:34]5)[cH:21][cH:22][c:23]43)[CH2:14]2)[CH2:25][CH2:26]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6342AcetonitrileHCID 7912DiisopropylamineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27378114-Aminocarbonylphenylboronic acidHCID 674077752-(5-Bromo-2,3-dihydro-1h-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid 1,1-dimethylethyl ester

Product 1

HCID 77286274tert-butyl 2-[5-(4-carbamoylphenyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

Sources & evidence

ORD record
ord-da6c7500d8584484b78fda305fd2ccf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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