Dimethyl Sulfoxide → 1-{3-[N-(2-isopropyloxyethyl)-N-tert-butoxycarbonylamino]benzoyl}-4-[2-(4-chlorophenyl)ethyl]piperazine

HRID 184867

Reaction equation

HRID 184867 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[CH2:18][CH2:19]2)[cH:29][cH:30][cH:31]1.[CH3:51][S:52]([CH3:53])=[O:54].[K+:50].[OH-:49].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([O:38][CH2:42][CH2:43][O:44][CH:45]([CH3:46])[CH3:47])(=[O:39])=[O:40])[cH:41][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[cH:10][c:11]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[CH2:18][CH2:19]2)[cH:29][cH:30][cH:31]1)[CH2:42][CH2:43][O:44][CH:45]([CH3:46])[CH3:47]

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 190994432-Isopropoxyethyl 4-methylbenzenesulfonateHCID 190994631-[3-(N-tert-butyloxycarbonylamino)benzoyl]-4-[2-(4-chlorophenyl)ethyl]piperazine

Product 1

HCID 190994721-{3-[N-(2-isopropyloxyethyl)-N-tert-butoxycarbonylamino]benzoyl}-4-[2-(4-chlorophenyl)ethyl]piperazine

Sources & evidence

ORD record
ord-5a8d528a741e49598495f3b5152a5a70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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