Dimethylformamide → 5-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]-3-methyl-1,3,4-oxadiazol-2(3H)-one

HRID 2152801Notes

Reaction equation

HRID 2152801 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[NH:18][c:19]3[c:20]2[cH:21][c:22](-[c:25]2[n:26][nH:27][c:28](=[O:30])[o:29]2)[cH:23][cH:24]3)[cH:9][cH:10]1.[C:39](=[O:40])([O-:41])[O-:42].[Cs+:43].[Cs+:44].[I:45][CH3:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[NH:18][c:19]3[c:20]2[cH:21][c:22](-[c:25]2[n:26][n:27]([CH3:39])[c:28](=[O:30])[o:29]2)[cH:23][cH:24]3)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 66901645HCID 66901645, compound

Product 1

HCID 596186145-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]-3-methyl-1,3,4-oxadiazol-2(3H)-one

Sources & evidence

ORD record
ord-a83bb8e856714163870b2a55e94cdf99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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