Ethyl Acetate → HCID 57460106, compound

HRID 2339531Notes

Reaction equation

HRID 2339531 reaction equation
[Br:1][c:2]1[c:3]([CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:29][C:30]1([CH3:42])[O:31][c:32]2[c:33]([cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]2)[CH2:34]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:47].[Cs+:48]>>[c:2]1(-[c:36]2[cH:35][c:33]3[c:32]([cH:38][cH:37]2)[O:31][C:30]([CH3:29])([CH3:42])[CH2:34]3)[c:3]([CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 23005350(2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)boronic acidHCID 574600534'-[(5-bromo-2-butyl-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 57460106HCID 57460106, compound

Sources & evidence

ORD record
ord-3c80db9676ae427b90e110fff33d13ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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