Potassium Cation → [(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]acetonitrile

HRID 1550299Notes

Reaction equation

HRID 1550299 reaction equation
[Br:31][CH2:32][C:33]#[N:34].[C:35](=[O:36])([O-:37])[O-:38].[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:30])[c:8]([C:17]3=[N:18][S:19](=[O:28])(=[O:29])[c:20]4[c:21]([cH:23][cH:24][c:25]([OH:27])[cH:26]4)[NH:22]3)[c:9]([OH:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[CH2:2][CH2:3]1.[I-:46].[K+:39].[K+:40]>>[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:30])[c:8]([C:17]3=[N:18][S:19](=[O:28])(=[O:29])[c:20]4[c:21]([cH:23][cH:24][c:25]([O:27][CH2:32][C:33]#[N:34])[cH:26]4)[NH:22]3)[c:9]([OH:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 11534BromoacetonitrileHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 136358401HCID 136358401, compound

Product 1

HCID 136358425[(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]acetonitrile

Sources & evidence

ORD record
ord-7ee7c45dc21147598edfccea127d159a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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