Ammonium → 2-[[3-(4,4-dibutyl-1-hydroxy-3-oxo-2-naphthyl)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]oxy]acetamide

HRID 676711Notes

Reaction equation

HRID 676711 reaction equation
[Br:34][CH2:35][C:36](=[O:37])[NH2:38].[C:39](=[O:40])([O-:41])[O-:42].[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:30][CH2:31][CH2:32][CH3:33])[C:6](=[O:29])[C:7]([C:16]2=[N:17][S:18](=[O:27])(=[O:28])[c:19]3[c:20]([cH:22][cH:23][c:24]([OH:26])[cH:25]3)[NH:21]2)=[C:8]([OH:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21.[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl-:45].[Cs+:43].[Cs+:44].[I-:47].[NH4+:46]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:30][CH2:31][CH2:32][CH3:33])[C:6](=[O:29])[C:7]([C:16]2=[N:17][S:18](=[O:27])(=[O:28])[c:19]3[c:20]([cH:22][cH:23][c:24]([O:26][CH2:35][C:36](=[O:37])[NH2:38])[cH:25]3)[NH:21]2)=[C:8]([OH:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 696322-BromoacetamideHCID 104967Cesium cation2×HCID 1363755991,1-dibutyl-4-hydroxy-3-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-2(1H)-naphthalenone

Product 1

HCID 1354401942-[[3-(4,4-dibutyl-1-hydroxy-3-oxo-2-naphthyl)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]oxy]acetamide

Sources & evidence

ORD record
ord-3fc5cbb9aedf4556ad4a0bcb4c2d7ec1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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