Hydrochloric Acid → 4-(2-(1-Methylpyrrolidin-2-yl)ethyl)-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

HRID 1226285Notes

Reaction equation

HRID 1226285 reaction equation
[Cl:16][CH2:17][CH2:18][CH:19]1[N:20]([CH3:24])[CH2:21][CH2:22][CH2:23]1.[ClH:15].[I-:25].[K+:27].[K+:28].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:14]1)[O:9][CH2:10][C:11](=[O:13])[NH:12]2.[Na+:26].[O-:29][C:30]([O-:31])=[O:32].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:38]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:14]1)[O:9][CH2:10][C:11](=[O:13])[N:12]2[CH2:17][CH2:18][CH:19]1[N:20]([CH3:24])[CH2:21][CH2:22][CH2:23]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 2850932-(2-Chloroethyl)-1-methylpyrrolidineHCID 27638307-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one

Product 1

HCID 591441764-(2-(1-Methylpyrrolidin-2-yl)ethyl)-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

Sources & evidence

ORD record
ord-b783aa9e9d454ec3b778e8e983478ca2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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