Potassium Cation → t-Butyl ethyl (2,4-dinitronaphthalen-1-yl)malonate

HRID 2131472Notes

Reaction equation

HRID 2131472 reaction equation
[C:24]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])(=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[Cl:7][c:8]1[c:9]([N+:21](=[O:22])[O-:23])[cH:10][c:11]([N+:18](=[O:19])[O-:20])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6]>>[c:8]1([CH:25]([C:24](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:9]([N+:21](=[O:22])[O-:23])[cH:10][c:11]([N+:18](=[O:19])[O-:20])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 169871-Chloro-2,4-dinitronaphthaleneHCID 19660Carbonate IonHCID 96345tert-Butyl ethyl malonate

Product 1

HCID 11452450t-Butyl ethyl (2,4-dinitronaphthalen-1-yl)malonate

Sources & evidence

ORD record
ord-efb3778e93084ef08f9ae9132bdeafcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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