Dimethyl Sulfoxide → 6-[(4-tert-Butylphenyl)sulfonyl]-8-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

HRID 140096Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 140096
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[N:7]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:27][cH:28]1)[CH2:8][c:9]1[c:10]([n:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]1)[NH:11]2.[C:49](=[O:50])([O-:51])[O-:52].[CH3:34][n:35]1[n:36][cH:37][c:38]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:39]1.[CH3:55][S:56]([CH3:57])=[O:58].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[K+:53].[K+:54].[OH2:65]>>[c:2]1(-[c:38]2[cH:37][n:36][n:35]([CH3:34])[cH:39]2)[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[N:7]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:27][cH:28]1)[CH2:8][c:9]1[c:10]([n:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]1)[NH:11]2

Komponenten

8

Edukt 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 596186368-bromo-6-[(4-tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

Produkt 1

HCID 596186396-[(4-tert-Butylphenyl)sulfonyl]-8-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

Quellen und Nachweise

ORD-Eintrag
ord-a4d09e7801984a3aaa9caa8126349e4a
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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