Bicarbonate Ion → 3-Chloro-2-(4-chloro-2-fluorophenyl)-2,4,6,7-tetrahydro-thiopyrano[4,3-c]pyrazole

HRID 145590Notes

Reaction equation

HRID 145590 reaction equation
[CH:29]([Cl:30])([Cl:31])[Cl:32].[Na+:28].[O-:24][C:25]([OH:26])=[O:27].[OH:1][c:2]1[c:3]2[c:4]([n:5][n:6]1-[c:7]1[c:8]([F:14])[cH:9][c:10]([Cl:13])[cH:11][cH:12]1)[CH2:15][CH2:16][S:17][CH2:18]2.[P:19]([Cl:20])([Cl:21])([Cl:22])=[O:23]>>[c:2]1([Cl:21])[c:3]2[c:4]([n:5][n:6]1-[c:7]1[c:8]([F:14])[cH:9][c:10]([Cl:13])[cH:11][cH:12]1)[CH2:15][CH2:16][S:17][CH2:18]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 24813Phosphorus oxychlorideHCID 178515244HCID 178515244, compound

Product 1

HCID 214172053-Chloro-2-(4-chloro-2-fluorophenyl)-2,4,6,7-tetrahydro-thiopyrano[4,3-c]pyrazole

Sources & evidence

ORD record
ord-8b0b3136606d41d3933cc3aed6ea2898
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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