Chloride → Methyl 4-(3-ethoxy-3-oxopropyl)nicotinate

HRID 1139091Notes

Reaction equation

HRID 1139091 reaction equation
[Br:1][CH2:2][CH2:3][Br:4].[C:23]([Cl:24])(=[O:25])[O:26][CH2:27][CH3:28].[C:29]([c:30]1[cH:31][n:32][cH:33][cH:34][cH:35]1)(=[O:36])[O:37][CH3:38].[C:45](=[O:46])([O-:47])[OH:48].[Cl-:22].[Cl:5][Si:6]([CH3:7])([CH3:8])[CH3:9].[Cu:18][C:19]#[N:20].[I:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17].[Li+:21].[Na+:49].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[S:39].[Zn:50].[c:51]1([CH3:52])[c:53]([CH3:54])[cH:55][cH:56][cH:57][cH:58]1>>[CH2:11]([CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:35]1[c:30]([C:29](=[O:36])[O:37][CH3:38])[cH:31][n:32][cH:33][cH:34]1

Participants

15

Reactant 14

HCID 312ChlorideHCID 402Hydrogen SulfideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6397ChlorotrimethylsilaneHCID 7151Methyl NicotinateHCID 7237O-XyleneHCID 78391,2-DibromoethaneHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 23994ZincHCID 28486Lithium ionHCID 10911297Ethyl 3-iodopropanoateHCID 178418546HCID 178418546, compound

Product 1

HCID 10037152Methyl 4-(3-ethoxy-3-oxopropyl)nicotinate

Sources & evidence

ORD record
ord-9987366d147a4dca8ae0caafea12c4cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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