Bicarbonate Ion → Methyl 4-[3-(4-cyanobenzyl)-4-hydroxybutyl]benzoate

HRID 1544052Notes

Reaction equation

HRID 1544052 reaction equation
[C:1](=[O:2])([OH:3])[CH:4]([CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1)[CH2:17][c:18]1[cH:19][cH:20][c:21]([C:24]#[N:25])[cH:22][cH:23]1.[C:26](=[O:27])([OH:28])[O-:29].[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[Na+:30]>>[CH2:1]([OH:2])[CH:4]([CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1)[CH2:17][c:18]1[cH:19][cH:20][c:21]([C:24]#[N:25])[cH:22][cH:23]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 57831382Methyl 4-[3-carboxy-4-(4-cyanophenyl)butyl]benzoate

Product 1

HCID 57831369Methyl 4-[3-(4-cyanobenzyl)-4-hydroxybutyl]benzoate

Sources & evidence

ORD record
ord-5112acb871954f7a8024d740f290c008
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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