Acetic Acid → Dimenthyl 4-nitrobenzalmalonate

HRID 91667Notes

Reaction equation

HRID 91667 reaction equation
[C:12]([CH2:13][C:14](=[O:15])[O:16][CH:17]1[CH2:18][CH:19]([CH3:26])[CH2:20][CH2:21][CH:22]1[CH:23]([CH3:24])[CH3:25])(=[O:27])[O:28][CH:29]1[CH2:30][CH:31]([CH3:38])[CH2:32][CH2:33][CH:34]1[CH:35]([CH3:36])[CH3:37].[CH2:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[CH3:39][C:40](=[O:41])[OH:42].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[O:9])[cH:10][cH:11]1.[OH2:56]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[C:13]([C:12](=[O:27])[O:28][CH:29]2[CH2:30][CH:31]([CH3:38])[CH2:32][CH2:33][CH:34]2[CH:35]([CH3:36])[CH3:37])[C:14](=[O:15])[O:16][CH:17]2[CH2:18][CH:19]([CH3:26])[CH2:20][CH2:21][CH:22]2[CH:23]([CH3:24])[CH3:25])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 5414-NitrobenzaldehydeHCID 962WaterHCID 1140TolueneHCID 8082PiperidineHCID 586745dimenthyl malonate

Product 1

HCID 69277613Dimenthyl 4-nitrobenzalmalonate

Sources & evidence

ORD record
ord-99f9c01c52c84504ae52597912f2a5cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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