Potassium Cation → (+/-)-7-(4,5-Dihydro-oxazol-2-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

HRID 669697Notes

Reaction equation

HRID 669697 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:1][CH2:2][CH2:3][NH:4][C:5](=[O:6])[N:7]1[N:8]=[C:9]([c:22]2[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]2)[c:10]2[c:11]([cH:15][c:16]3[c:17]([cH:18]2)[O:19][CH2:20][O:21]3)[CH2:12][CH:13]1[CH3:14].[I-:38].[K+:35].[K+:36].[Na+:37].[OH2:44]>>[CH2:2]1[CH2:3][N:4]=[C:5]([N:7]2[N:8]=[C:9]([c:22]3[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]3)[c:10]3[c:11]([cH:15][c:16]4[c:17]([cH:18]3)[O:19][CH2:20][O:21]4)[CH2:12][CH:13]2[CH3:14])[O:6]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 12137418(+/-)-8-Methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carboxylic acid (2-chloroethyl)-amide

Product 1

HCID 22565447(+/-)-7-(4,5-Dihydro-oxazol-2-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

Sources & evidence

ORD record
ord-488646ad09c94272bb0da81af699bd0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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