Formic Acid → Toluene-4-sulfonic acid 2-isopropyl-quinolin-3-yl ester

HRID 196996Notes

Reaction equation

HRID 196996 reaction equation
[CH:31]([OH:32])=[O:33].[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[cH:13][c:14]1[O:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1.[Zn:34]>>[CH:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[cH:13][c:14]1[O:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1

Participants

6

Reactant 5

HCID 284Formic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 23994ZincHCID 86611056Toluene-4-sulfonic acid 2-(1-hydroxy-1-methyl-ethyl)-quinolin-3-yl ester

Product 1

HCID 86611057Toluene-4-sulfonic acid 2-isopropyl-quinolin-3-yl ester

Sources & evidence

ORD record
ord-250856326b05486cbb5c3fd70a64d811
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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