Acetate → 5-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine

HRID 177421Notes

Reaction equation

HRID 177421 reaction equation
[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH:1]1([NH:10][c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][c:17]([I:21])[c:18]3[cH:19][cH:20]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[CH:22]1([B:25]([OH:26])[OH:27])[CH2:23][CH2:24]1.[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[K+:52].[K+:53].[K+:54].[OH2:62].[P:47]([O-:48])([O-:49])([O-:50])=[O:51].[Pd+2:67]>>[CH:1]1([NH:10][c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][c:17]([CH:22]4[CH2:23][CH2:24]4)[c:18]3[cH:19][cH:20]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 67095933N-(2,3-dihydro-1H-inden-1-yl)-5-iodoquinolin-2-amine

Product 1

HCID 749536455-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine

Sources & evidence

ORD record
ord-2d5ce489ffd8497bb218681ad4bde391
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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