Dimethyl Sulfoxide → 4-hydroxy-1-(isobutylamino)-3-{7-[(3-nitropyridin-2-yl)oxy]-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl}quinolin-2(1H)-one

HRID 1207467Notes

Reaction equation

HRID 1207467 reaction equation
[Br:37][c:38]1[n:39][cH:40][cH:41][cH:42][c:43]1[N+:44](=[O:45])[O-:46].[C:31](=[O:32])([O-:33])[O-:34].[CH3:47][S:48]([CH3:49])=[O:50].[Cs+:35].[Cs+:36].[OH:1][c:2]1[c:3]([C:18]2=[N:19][S:20](=[O:29])(=[O:30])[c:21]3[c:22]([cH:24][cH:25][c:26]([OH:28])[cH:27]3)[NH:23]2)[c:4](=[O:17])[n:5]([NH:12][CH2:13][CH:14]([CH3:15])[CH3:16])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[OH:1][c:2]1[c:3]([C:18]2=[N:19][S:20](=[O:29])(=[O:30])[c:21]3[c:22]([cH:24][cH:25][c:26]([O:28][c:38]4[n:39][cH:40][cH:41][cH:42][c:43]4[N+:44](=[O:45])[O-:46])[cH:27]3)[NH:23]2)[c:4](=[O:17])[n:5]([NH:12][CH2:13][CH:14]([CH3:15])[CH3:16])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5550542-Bromo-3-nitropyridineHCID 1363584044-hydroxy-3-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-1-(isobutylamino)quinolin-2(1H)-one

Product 1

HCID 1363473564-hydroxy-1-(isobutylamino)-3-{7-[(3-nitropyridin-2-yl)oxy]-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl}quinolin-2(1H)-one

Sources & evidence

ORD record
ord-ad67840a36b74c199fcde77fa6b2a563
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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