Ethyl Acetate → HCID 57460173, compound

HRID 1240714Notes

Reaction equation

HRID 1240714 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][O:28][CH3:29])[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.[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cs+:34].[Cs+:35].[I:36][CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][O:28][CH3:29])[n:8]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[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 19660Carbonate IonHCID 31374DimethylacetamideHCID 84953Propane, 1-iodo-2,2-dimethyl-HCID 104967Cesium cation2×HCID 136026803HCID 136026803, compound

Product 1

HCID 57460173HCID 57460173, compound

Sources & evidence

ORD record
ord-20439a53577e4b28890c05bb3800de3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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