Citric Acid → 3-(4-Cyanobenzyl)pyridin-4-carboxylic acid methyl ester

HRID 2323800Notes

Reaction equation

HRID 2323800 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][Br:8])[cH:9][cH:10]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:11][O:12][C:13](=[O:14])[c:15]1[c:16]([Br:21])[cH:17][n:18][cH:19][cH:20]1.[CH3:22][CH2:23][O:24][C:25]([CH3:26])=[O:27].[OH:28][C:29]([CH2:30][C:31]([C:32](=[O:33])[OH:34])([CH2:35][C:36](=[O:37])[OH:38])[OH:39])=[O:40]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][c:16]2[c:15]([C:13]([O:12][CH3:11])=[O:14])[cH:20][cH:19][n:18][cH:17]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 869964-(Bromomethyl)benzonitrileHCID 2762700Methyl 3-bromoisonicotinate

Product 1

HCID 539534263-(4-Cyanobenzyl)pyridin-4-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-afd144808e174e539cf3e5d6e504526d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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