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

HRID 1549851Notes

Reaction equation

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

Participants

Reactant 4

HCID 887Methanol

HCID 6342Acetonitrile

HCID 85247Trimethylsilyl iodide

HCID 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-cabc09f232ce4891b3aed0f3dd2e460f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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