Hydrochloric Acid → Hydrochloric Acid

HRID 2343902Notes

Reaction equation

HRID 2343902 reaction equation
[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[Cl:45][CH2:46][Cl:47].[ClH:31].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:32].[c:21]1([S:27](=[O:28])(=[O:29])[Cl:30])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[ClH:30].[N:8]1([S:27]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)(=[O:28])=[O:29])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 7369Benzenesulfonyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 143452tert-Butyl piperazine-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 8087121-(Benzenesulfonyl)piperazine

Sources & evidence

ORD record
ord-9b7aecb7cdfe480d8e4527c038acebbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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