Ethyl Acetate → HCID 58375767, compound

HRID 2128998Notes

Reaction equation

HRID 2128998 reaction equation
[C:1]1(=[O:11])[CH:2]2[N:3]([CH2:4][CH2:5][CH2:6][NH:7]1)[CH2:8][CH2:9][CH2:10]2.[C:48](=[O:49])([O-:50])[O-:51].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[Cs+:52].[Cs+:53].[Cu:66][I:67].[F:12][C:13]([c:14]1[cH:15][c:16]([C:24]([C:25](=[O:26])[N:27]([CH3:28])[c:29]2[cH:30][n:31][c:32]([Cl:43])[cH:33][c:34]2-[c:35]2[c:36]([CH3:42])[cH:37][c:38]([F:41])[cH:39][cH:40]2)([CH3:44])[CH3:45])[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)([F:46])[F:47].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[C:1]1(=[O:11])[CH:2]2[N:3]([CH2:4][CH2:5][CH2:6][N:7]1[c:32]1[n:31][cH:30][c:29]([N:27]([C:25]([C:24]([c:16]3[cH:15][c:14]([C:13]([F:12])([F:46])[F:47])[cH:19][c:18]([C:20]([F:21])([F:22])[F:23])[cH:17]3)([CH3:44])[CH3:45])=[O:26])[CH3:28])[c:34](-[c:35]3[c:36]([CH3:42])[cH:37][c:38]([F:41])[cH:39][cH:40]3)[cH:33]1)[CH2:8][CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 13667319HCID 13667319, compoundHCID 235027842-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide

Product 1

HCID 58375767HCID 58375767, compound

Sources & evidence

ORD record
ord-2c32625018b245ecb58b86849e41e76c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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