Acetate → 8-(Benzyloxy)-N-(4-((3-methyloxetan-3-YL)methoxy)-2-nitrophenyl)quinolin-2-amine

HRID 2146514Notes

Reaction equation

HRID 2146514 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[C:47]([O-:48])(=[O:49])[CH3:50].[C:52]([O-:53])(=[O:54])[CH3:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15][c:16]([OH:19])[n:17][c:18]12.[CH3:20][C:21]1([CH2:25][O:26][c:27]2[cH:28][c:29]([N+:34](=[O:35])[O-:36])[c:30]([NH2:33])[cH:31][cH:32]2)[CH2:22][O:23][CH2:24]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:43][CH:44]([Cl:45])[CH3:46].[Cs+:41].[Cs+:42].[Pd+2:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15][c:16]([NH:33][c:30]3[c:29]([N+:34](=[O:35])[O-:36])[cH:28][c:27]([O:26][CH2:25][C:21]4([CH3:20])[CH2:22][O:23][CH2:24]4)[cH:32][cH:31]3)[n:17][c:18]12

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 63651,1-DichloroethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 184359014-((3-Methyloxetan-3-yl)methoxy)-2-nitroanilineHCID 178515619HCID 178515619, compound

Product 1

HCID 114769578-(Benzyloxy)-N-(4-((3-methyloxetan-3-YL)methoxy)-2-nitrophenyl)quinolin-2-amine

Sources & evidence

ORD record
ord-c67e8b133ccd4aeda07acdf046cf4e75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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