Potassium Cation → Methyl 12-cyclohexyl-4-nitro-6,7-dihydro-5-oxa-7a-azadibenzo[a,e]azulene-9-carboxylate

HRID 1554503Notes

Reaction equation

HRID 1554503 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:1]1([c:7]2[c:8](-[c:20]3[c:21]([O:29][CH2:30][CH2:31][O:32][S:33]([CH3:34])(=[O:35])=[O:36])[c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]3)[nH:9][c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:41].[K+:42].[OH2:43]>>[CH:1]1([c:7]2[c:8]3[n:9]([c:10]4[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]24)[CH2:31][CH2:30][O:29][c:21]2[c:20]-3[cH:25][cH:24][cH:23][c:22]2[N+:26](=[O:27])[O-:28])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 23152434methyl 3-cyclohexyl-2-[2-(2-methanesulfonyloxyethoxy)-3-nitrophenyl]-1H-indole-6-carboxylate

Product 1

HCID 23152429Methyl 12-cyclohexyl-4-nitro-6,7-dihydro-5-oxa-7a-azadibenzo[a,e]azulene-9-carboxylate

Sources & evidence

ORD record
ord-993cf96a8ba9470facb1f416cff58390
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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