Potassium Cation → HCID 18516454, compound

HRID 94737Notes

Reaction equation

HRID 94737 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][c:11]3[c:12](-[c:21]4[cH:22][c:23]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:24][cH:25][cH:26]4)[cH:13][c:14](=[O:20])[n:15]([CH3:19])[c:16]3[cH:17][cH:18]2)([c:33]2[n:34]([CH3:38])[cH:35][n:36][cH:37]2)[OH:39])[cH:6][cH:7]1.[K+:44].[K+:45].[N:60]#[N:61].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[S:51]([Cl:52])([Cl:53])=[O:54].[nH:46]1[n:47][cH:48][n:49][cH:50]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][c:11]3[c:12](-[c:21]4[cH:22][c:23]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:24][cH:25][cH:26]4)[cH:13][c:14](=[O:20])[n:15]([CH3:19])[c:16]3[cH:17][cH:18]2)([c:33]2[n:34]([CH3:38])[cH:35][n:36][cH:37]2)[n:46]2[n:47][cH:48][n:49][cH:50]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 947NitrogenHCID 6228DimethylformamideHCID 92571H-1,2,4-TriazoleHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 185164526-[(4-chloro-phenyl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-4-[3-(3,3-dimethyl-but-1-ynyl)-phenyl]-1-methyl-1H-quinolin-2-one

Product 1

HCID 18516454HCID 18516454, compound

Sources & evidence

ORD record
ord-e4f17c0c07d5403e88032057f1bc6f4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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