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

HRID 315577Notes

Reaction equation

HRID 315577 reaction equation
[Br:37][CH2:38][C:39](=[O:40])[NH2:41].[C:31](=[O:32])([O-:33])[O-:34].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[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.[Cs+:35].[Cs+:36]>>[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][CH2:38][C:39](=[O:40])[NH2:41])[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

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 696322-BromoacetamideHCID 104967Cesium cation2×HCID 136358401HCID 136358401, compound

Product 1

HCID 1363584032-[(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]acetamide

Sources & evidence

ORD record
ord-8ea96e28bcc049c3844873255082be8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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