Hydrogen Bromide → 4-methyl-5,6-dihydro-4H-1,3a,6-triaza-as-indacene-8-carboxylic acid (2-fluoro-4-isopropoxyphenyl)amide

HRID 1116366

Reaktionsgleichung

Reaktionsgleichung von HRID 1116366
[BrH:7].[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:49][CH2:50][OH:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:8][CH:9]1[n:10]2[cH:11][cH:12][n:13][c:14]2-[c:15]2[c:16]([C:21](=[O:22])[OH:23])[cH:17][nH:18][c:19]2[CH2:20]1.[Cl:1][C:2]([O:3][CH2:4][CH3:5])=[O:6].[F:24][c:25]1[c:26]([NH2:27])[cH:28][cH:29][c:30]([O:32][CH:33]([CH3:34])[CH3:35])[cH:31]1.[K+:40].[K+:41].[OH2:48]>>[CH3:8][CH:9]1[n:10]2[cH:11][cH:12][n:13][c:14]2-[c:15]2[c:16]([C:21](=[O:23])[NH:27][c:26]3[c:25]([F:24])[cH:31][c:30]([O:32][CH:33]([CH3:34])[CH3:35])[cH:29][cH:28]3)[cH:17][nH:18][c:19]2[CH2:20]1

Komponenten

12

Edukt 11

HCID 260Hydrogen BromideHCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 19660Carbonate IonHCID 37563842-Fluoro-4-isopropoxyanilineHCID 223187647-Methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-12-carboxylic acid

Produkt 1

HCID 865883154-methyl-5,6-dihydro-4H-1,3a,6-triaza-as-indacene-8-carboxylic acid (2-fluoro-4-isopropoxyphenyl)amide

Quellen und Nachweise

ORD-Eintrag
ord-12f88116075945cebcc536e475d204a0
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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