5-Methyl-2-pyrazinecarboxylic acid → N-[6-(4-Chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropyl-4,7-dioxooctahydropyrazino[1,2-a]pyrimidin-3-yl]-5-methylpyrazine-2-carboxamide

HRID 292151

반응식

HRID 292151 반응식
[CH3:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[NH2:11][CH:12]1[CH2:13][N:14]([S:35](=[O:36])(=[O:37])[c:38]2[c:39]([Cl:45])[cH:40][c:41]([Cl:44])[cH:42][cH:43]2)[CH:15]2[N:16]([C:17]1=[O:18])[CH:19]([CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]1)[C:20](=[O:26])[N:21]([CH:23]([CH3:24])[CH3:25])[CH2:22]2>>[CH3:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:10])[NH:11][CH:12]2[CH2:13][N:14]([S:35](=[O:36])(=[O:37])[c:38]3[c:39]([Cl:45])[cH:40][c:41]([Cl:44])[cH:42][cH:43]3)[CH:15]3[N:16]([C:17]2=[O:18])[CH:19]([CH2:27][c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[C:20](=[O:26])[N:21]([CH:23]([CH3:24])[CH3:25])[CH2:22]3)[n:6][cH:7]1

참가 물질

3

반응물 2

HCID 1228315-Methyl-2-pyrazinecarboxylic acidHCID 591342523-Amino-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydropyrazino[1,2-a]pyrimidine-4,7-dione

생성물 1

HCID 59134190N-[6-(4-Chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropyl-4,7-dioxooctahydropyrazino[1,2-a]pyrimidin-3-yl]-5-methylpyrazine-2-carboxamide

출처 및 근거

ORD 기록
ord-521fd33658ea4ca99e1c1ea01d122f33
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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