Potassium Cation → {2-[2-(Dimethylamino)-3-nitropyrrolyl]ethyl}[(6-chloro(3-pyridyl))methyl][(4-chlorophenyl)methyl]amine

HRID 211275Notes

Reaction equation

HRID 211275 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:21][N:22]([c:23]1[nH:24][cH:25][cH:26][c:27]1[N+:28](=[O:29])[O-:30])[CH3:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:18][CH2:19][Cl:20])[cH:6][n:7]1.[K+:36].[K+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:18][CH2:19][c:26]2[cH:25][nH:24][c:23]([N:22]([CH3:21])[CH3:31])[c:27]2[N+:28](=[O:29])[O-:30])[cH:6][n:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 45121913N,N-Dimethyl-3-nitro-1H-pyrrol-2-amineHCID 86624870(6-Chloro(3-pyridyl)methyl](2-chloroethyl)[(4-chlorophenyl)methyl]amine

Product 1

HCID 86624871{2-[2-(Dimethylamino)-3-nitropyrrolyl]ethyl}[(6-chloro(3-pyridyl))methyl][(4-chlorophenyl)methyl]amine

Sources & evidence

ORD record
ord-af830d25ed874feda9f9c172d5029fa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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