Acetic Acid → 3-Amino-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydropyrazino[1,2-a]pyrimidine-4,7-dione

HRID 174371Notes

Reaction equation

HRID 174371 reaction equation
[BrH:46].[CH3:53][C:54](=[O:55])[OH:56].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[C:8](=[O:43])[N:9]([CH:40]([CH3:41])[CH3:42])[CH2:10][CH:11]3[N:12]2[C:13](=[O:39])[CH:14]([NH:28][C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:15][N:16]3[S:17](=[O:18])(=[O:19])[c:20]2[c:21]([Cl:27])[cH:22][c:23]([Cl:26])[cH:24][cH:25]2)[cH:44][cH:45]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[C:8](=[O:43])[N:9]([CH:40]([CH3:41])[CH3:42])[CH2:10][CH:11]3[N:12]2[C:13](=[O:39])[CH:14]([NH2:28])[CH2:15][N:16]3[S:17](=[O:18])(=[O:19])[c:20]2[c:21]([Cl:27])[cH:22][c:23]([Cl:26])[cH:24][cH:25]2)[cH:44][cH:45]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 86761388Benzyl [6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropyl-4,7-dioxooctahydropyrazino[1,2-a]pyrimidin-3-yl]carbamate

Product 1

HCID 591342523-Amino-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydropyrazino[1,2-a]pyrimidine-4,7-dione

Sources & evidence

ORD record
ord-eedacb4ead2f490fb51901dcf7e953ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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