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Acetic Acid → 5-[4-(Ethylamino)cyclohexen-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

HRID 664068
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반응식

HRID 664068 반응식
[C:29]([OH:30])(=[O:31])[CH3:32].[CH2:26]([CH3:27])[NH2:28].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:38][S:39]([CH3:40])=[O:41].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:19]2=[CH:20][CH2:21][C:22](=[O:25])[CH2:23][CH2:24]2)[n:6][c:7]1-[c:8]1[o:9][c:10](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11][n:12]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([C:19]2=[CH:20][CH2:21][CH:22]([NH:28][CH2:26][CH3:27])[CH2:23][CH2:24]2)[n:6][c:7]1-[c:8]1[o:9][c:10](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11][n:12]1
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참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 6341EthylamineHCID 8028TetrahydrofuranHCID 667447634-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]cyclohex-3-en-1-one

생성물 1

HCID 667443825-[4-(Ethylamino)cyclohexen-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

출처 및 근거

ORD 기록
ord-635af6e647c84c459fbb3a2e49f7b6d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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