Water → Cinnoline

HRID 136104

Reaction equation

HRID 136104 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][c:11]12.[OH2:31].[S:26]([OH:27])(=[O:28])(=[O:29])[OH:30].[cH:16]1[cH:17][cH:18][c:19]2[n:20][n:21][cH:22][cH:23][c:24]2[cH:25]1>>[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([C:12]([OH:27])=[O:31])[cH:9][cH:10][c:11]12.[cH:16]1[cH:17][cH:18][c:19]2[n:20][n:21][cH:22][cH:23][c:24]2[cH:25]1

Participants

6

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 9208CinnolineHCID 676684-Chloro-7-(trifluoromethyl)quinoline

Product 2

HCID 9208CinnolineHCID 217084474-Chloroquinoline-7-carboxylic acid

Sources & evidence

ORD record
ord-9b3b7e6d31fa496cb2fdff51df4b5575
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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