Calcium Cation → Methyl 3-{[7-(4-fluorophenyl)quinolin-3-yl]sulfonyl}propanoate

HRID 93761

Reaction equation

HRID 93761 reaction equation
[Ca+2:37].[Cl:39][CH2:40][Cl:41].[F:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]3[cH:23][c:24]([S:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:25][n:26][c:27]3[cH:28]2)[cH:17][cH:18]1.[OH-:36].[OH-:38].[OH:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][cH:10]1)=[O:11]>>[F:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]3[cH:23][c:24]([S:29]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH3:35])(=[O:36])=[O:38])[cH:25][n:26][c:27]3[cH:28]2)[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 961Hydroxide2×HCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 68901143Methyl 3-{[7-(4-fluorophenyl)quinolin-3-yl]thio}propanoate

Product 1

HCID 68899981Methyl 3-{[7-(4-fluorophenyl)quinolin-3-yl]sulfonyl}propanoate

Sources & evidence

ORD record
ord-d8db08e761f34a43b8f6e3cde7d932c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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