Bicarbonate Ion → Methyl 4-[4-(4-cyanophenyl)-2-hydroxymethylbutyl]benzoate

HRID 1138968Notes

Reaction equation

HRID 1138968 reaction equation
[C:1](=[O:2])([OH:3])[CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14][cH:15]1)[CH2:16][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][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14][cH:15]1)[CH2:16][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 57831396Methyl 4-[2-carboxy-4-(4-cyanophenyl)butyl]benzoate

Product 1

HCID 57831349Methyl 4-[4-(4-cyanophenyl)-2-hydroxymethylbutyl]benzoate

Sources & evidence

ORD record
ord-3ce457f9c78c4c9a8fe79f74f7f7e0d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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