Hydrogen Bromide → 3-Azetidin-1-yl-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydro-pyrazino[1,2-a]pyrimidine-4,7-dione

HRID 1569263Notes

Reaction equation

HRID 1569263 reaction equation
[Br:48][CH2:49][CH2:50][CH2:51][Br:52].[BrH:1].[C:42](=[O:43])([O-:44])[O-:45].[CH2:37]([CH2:38][CH2:39][CH3:41])[OH:40].[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]2[C:9](=[O:34])[N:10]([CH:31]([CH3:32])[CH3:33])[CH2:11][CH:12]3[N:13]2[C:14](=[O:30])[CH:15]([NH2:29])[CH2:16][N:17]3[S:18](=[O:19])(=[O:20])[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:35][cH:36]1.[K+:46].[K+:47].[OH2:53]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]2[C:9](=[O:34])[N:10]([CH:31]([CH3:32])[CH3:33])[CH2:11][CH:12]3[N:13]2[C:14](=[O:30])[CH:15]([N:29]2[CH2:37][CH2:38][CH2:39]2)[CH2:16][N:17]3[S:18](=[O:19])(=[O:20])[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:35][cH:36]1

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 2631-ButanolHCID 813Potassium Cation2×HCID 962WaterHCID 80011,3-DibromopropaneHCID 19660Carbonate IonHCID 591342523-Amino-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydropyrazino[1,2-a]pyrimidine-4,7-dione

Product 1

HCID 129914243-Azetidin-1-yl-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydro-pyrazino[1,2-a]pyrimidine-4,7-dione

Sources & evidence

ORD record
ord-bb167d3929c1442db7eb0a4f3baeccbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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