Chloride → Ethyl 3,3-diethoxy-2-nitropropanoate

HRID 162307Notes

Reaction equation

HRID 162307 reaction equation
[C:29](=[O:30])([OH:31])[O-:32].[CH3:42][CH2:43][OH:44].[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[CH:19]([O:20][CH2:21][CH3:22])([O:23][CH2:24][CH3:25])[O:26][CH2:27][CH3:28].[Cl-:37].[Cl-:39].[Cl-:40].[Cl-:41].[Cl:34][CH2:35][Cl:36].[N+:1](=[O:2])([O-:3])[CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9].[Na+:33].[Ti+4:38]>>[N+:1](=[O:2])([O-:3])[CH:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[CH:19]([O:23][CH2:24][CH3:25])[O:26][CH2:27][CH3:28]

Participants

10

Reactant 9

HCID 312Chloride4×HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 31214Ethyl orthoformateHCID 69379Ethyl nitroacetateHCID 81531DiisopropylethylamineHCID 114942Titanium cation (4+)

Product 1

HCID 10944403Ethyl 3,3-diethoxy-2-nitropropanoate

Sources & evidence

ORD record
ord-1bc02344ee3f480ea1b4bc5d386856b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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