Potassium Cation → 4-Cyano-3-(3-methyl-isoquinolin-4-yl)-benzoic acid methyl ester

HRID 107408Notes

Reaction equation

HRID 107408 reaction equation
[Br:1][c:2]1[c:3]([CH3:12])[n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:13][O:14][C:15]([c:16]1[cH:17][c:18]([B:24]2[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]2)[c:19]([C:22]#[N:23])[cH:20][cH:21]1)=[O:33].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[K+:39].[K+:40].[K+:41].[OH2:54].[P:34]([O-:35])([O-:36])([O-:37])=[O:38]>>[c:2]1(-[c:18]2[cH:17][c:16]([C:15]([O:14][CH3:13])=[O:33])[cH:21][cH:20][c:19]2[C:22]#[N:23])[c:3]([CH3:12])[n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 37777034-Bromo-3-methyl-isoquinolineHCID 56973105HCID 56973105, compound

Product 1

HCID 665996304-Cyano-3-(3-methyl-isoquinolin-4-yl)-benzoic acid methyl ester

Sources & evidence

ORD record
ord-ac03acecccce45bf88157b7aee6e5fd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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