Bicarbonate Ion → Benzoic acid, 2-iodo-5-methyl-, methyl ester

HRID 2142867Notes

Reaction equation

HRID 2142867 reaction equation
[C:27](=[O:28])([OH:29])[O-:30].[CH3:12][C:13]([CH3:14])([CH3:15])[C:16]([O-:17])([O-:18])[O-:19].[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH3:11])[cH:9][cH:10]1.[Na+:31]>>[I:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:12])[cH:7][c:8]([CH3:11])[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 1429412-Iodo-5-methylbenzoic acidHCID 21927715Trimethylorthoacetate

Product 1

HCID 14263946Benzoic acid, 2-iodo-5-methyl-, methyl ester

Sources & evidence

ORD record
ord-439f85838d104b20b28ae7750e0bc4ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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