Potassium Cation → methyl 2-chloro-6-({3-[4-hydroxy-1-(isobutylamino)-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}oxy)isonicotinate

HRID 2312780Notes

Reaction equation

HRID 2312780 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[Cl:37][c:38]1[cH:39][c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][c:46]([Cl:48])[n:47]1.[K+:35].[K+: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.[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[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:46]4[cH:45][c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:39][c:38]([Cl:37])[n:47]4)[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 813Potassium Cation2×HCID 1049PyridineHCID 19660Carbonate IonHCID 93237Methyl 2,6-dichloroisonicotinateHCID 1363584044-hydroxy-3-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-1-(isobutylamino)quinolin-2(1H)-one

Product 1

HCID 136358432methyl 2-chloro-6-({3-[4-hydroxy-1-(isobutylamino)-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}oxy)isonicotinate

Sources & evidence

ORD record
ord-7a31ad4c713349b280e4f7828f395314
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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