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

HRID 2148296Notes

Reaction equation

HRID 2148296 reaction equation
[Br:32][CH2:33][C:34](=[O:35])[NH2:36].[C:37](=[O:38])([O-:39])[O-:40].[CH2:57]([N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH3:73].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[Cs+:41].[Cs+:42].[I-:56].[OH:1][C:2]1=[C:3]([C:19]2=[N:20][S:21](=[O:30])(=[O:31])[c:22]3[c:23]([cH:25][cH:26][c:27]([OH:29])[cH:28]3)[NH:24]2)[C:4](=[O:18])[C:5]([CH2:12][CH2:13][CH3:14])([CH2:15][CH2:16][CH3:17])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[OH:1][C:2]1=[C:3]([C:19]2=[N:20][S:21](=[O:30])(=[O:31])[c:22]3[c:23]([cH:25][cH:26][c:27]([O:29][CH2:33][C:34](=[O:35])[NH2:36])[cH:28]3)[NH:24]2)[C:4](=[O:18])[C:5]([CH2:12][CH2:13][CH3:14])([CH2:15][CH2:16][CH3:17])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21

Participants

9

Reactant 8

HCID 311Citric AcidHCID 6228DimethylformamideHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 696322-BromoacetamideHCID 104967Cesium cation2×HCID 135436704HCID 135436704, compound

Product 1

HCID 1355183462-[[3-(1-hydroxy-3-oxo-4,4-dipropyl-2-naphthyl)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]oxy]acetamide

Sources & evidence

ORD record
ord-ad1805ed5a3f4fa5ac9750f6610fed58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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