Dimethyl Sulfoxide → 4-(3-Benzylamino-2-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 1239065Notes

Reaction equation

HRID 1239065 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([N+:21](=[O:22])[O-:23])[c:16]([F:20])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][S:39]([CH3:40])=[O:41].[K+:36].[K+:37].[NH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([N+:21](=[O:22])[O-:23])[c:16]([NH:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 7504BenzylamineHCID 19660Carbonate IonHCID 53255497tert-Butyl 4-(3-fluoro-2-nitrophenyl)piperazine-1-carboxylate

Product 1

HCID 578349694-(3-Benzylamino-2-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-e13c0ec2cc5640f2a7cd14fb0bc18824
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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