Hydrochloric Acid → 4-(3-Dimethylamino-propane-1-sulfonyl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 2348852Notes

Reaction equation

HRID 2348852 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]([S:14](=[O:15])(=[O:16])[CH2:17][CH2:18][CH2:19][Cl:20])[CH2:12][CH2:13]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:22][NH:23][CH3:24].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:40][C:41]#[N:42].[ClH:21].[I-:39].[K+:29].[K+:30].[K+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH2:18][CH2:19][N:23]([CH3:22])[CH3:24])[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 813Potassium Cation3×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 227098904-tert-Butoxycarbonyl-1-[(3-chloro-1-propyl)sulfonyl]piperazine

Product 1

HCID 668584634-(3-Dimethylamino-propane-1-sulfonyl)-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-3058d05d7ee747b3926e42129404108e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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