Ethyl Acetate → HCID 59469384, compound

HRID 1213288Notes

Reaction equation

HRID 1213288 reaction equation
[Br:15][c:16]1[c:17]([CH2:41][CH3:42])[n:18][c:19]([CH2:38][CH2:39][CH3:40])[n:20]([CH2:23][c:24]2[cH:25][cH:26][c:27](-[c:30]3[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]3)[cH:28][cH:29]2)[c:21]1=[O:22].[C:49](=[O:50])([O-:51])[O-:52].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:1][C:2]1([CH3:14])[O:3][c:4]2[c:5]([cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]2)[CH2:6]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:53].[Cs+:54]>>[CH3:1][C:2]1([CH3:14])[O:3][c:4]2[c:5]([cH:7][c:8](-[c:16]3[c:17]([CH2:41][CH3:42])[n:18][c:19]([CH2:38][CH2:39][CH3:40])[n:20]([CH2:23][c:24]4[cH:25][cH:26][c:27](-[c:30]5[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]5)[cH:28][cH:29]4)[c:21]3=[O:22])[cH:9][cH:10]2)[CH2:6]1

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 574600664'-[(5-bromo-4-ethyl-6-oxo-2-propylpyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 59469384HCID 59469384, compound

Sources & evidence

ORD record
ord-0dc6152ce7fd4562947217eb63d9665e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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