Hydrochloric Acid → Hydrochloric Acid

HRID 2324939Notes

Reaction equation

HRID 2324939 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[Cl:18][CH2:19][c:20]1[cH:21][n:22][cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12.[ClH:30].[Cs+:16].[Cs+:17].[F:1][c:2]1[c:3]([OH:11])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[OH2:37]>>[ClH:18].[F:1][c:2]1[c:3]([O:11][CH2:19][c:20]2[cH:21][n:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 5936354-Fluoro-3-hydroxybenzoic acidHCID 127463784-(Chloromethyl)isoquinoline

Product 2

HCID 313Hydrochloric AcidHCID 180076224-Fluoro-3-(isoquinolin-4-ylmethoxy)benzoic acid

Sources & evidence

ORD record
ord-dbcdcab972ca49b5be373b78a4a9d09d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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