Ethyl Acetate → HCID 57460217, compound

HRID 316504Notes

Reaction equation

HRID 316504 reaction equation
[Br:34][CH:35]([CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[C:28](=[O:29])([O-:30])[O-:31].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[nH:8][c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cs+:32].[Cs+:33]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[n:8]([CH:35]([CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 11454(1-Bromoethyl)benzeneHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 1354012224'-[(4-Butyl-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 57460217HCID 57460217, compound

Sources & evidence

ORD record
ord-38acbd631bd941bd9dd019d06d60cfd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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