Ethyl Acetate → ethyl 1-{4-[5-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethyl-6-oxo-4-propylpyrimidin-1(6H)-yl]phenoxy}cyclobutanecarboxylate

HRID 170490Notes

Reaction equation

HRID 170490 reaction equation
[Br:35][C:36]1([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:37][CH2:38][CH2:39]1.[C:45](=[O:46])([O-:47])[O-:48].[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1.[CH3:51][C:52]([N:53]([CH3:54])[CH3:55])=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cs+:49].[Cs+:50]>>[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([O:34][C:36]3([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:37][CH2:38][CH2:39]3)[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 97595Ethyl 1-bromocyclobutanecarboxylateHCID 104967Cesium cation2×HCID 57460841HCID 57460841, compound

Product 1

HCID 57460924ethyl 1-{4-[5-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethyl-6-oxo-4-propylpyrimidin-1(6H)-yl]phenoxy}cyclobutanecarboxylate

Sources & evidence

ORD record
ord-c49b9e2443144bf1b8361f3b2fedd99b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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