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Ethanol → 3-[(1-benzyl-2-oxoazepan-3-yl)amino]-2-cyano-3-[(2-methyl-1-benzofuran-5-yl)amino]prop-2-enamide

HRID 2124339
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인쇄 미리보기

반응식

HRID 2124339 반응식
[CH3:12][S:13][C:14](=[C:15]([C:16](=[O:17])[NH2:18])[C:19]#[N:20])[S:21][CH3:22].[CH3:1][c:2]1[o:3][c:4]2[c:5]([cH:6]1)[cH:7][c:8]([NH2:11])[cH:9][cH:10]2.[CH3:39][CH2:40][OH:41].[NH2:23][CH:24]1[C:25](=[O:38])[N:26]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:27][CH2:28][CH2:29][CH2:30]1>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([cH:6]1)[cH:7][c:8]([NH:11][C:14](=[C:15]([C:16](=[O:17])[NH2:18])[C:19]#[N:20])[NH:23][CH:24]1[C:25](=[O:38])[N:26]([CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:27][CH2:28][CH2:29][CH2:30]1)[cH:9][cH:10]2
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참가 물질

5

반응물 4

HCID 702EthanolHCID 27477462-Cyano-3,3-bis(methylthio)acrylamideHCID 31574842-Methyl-5-benzofuranamineHCID 186125993-Amino-1-benzyl-azepan-2-one

생성물 1

HCID 1784220893-[(1-benzyl-2-oxoazepan-3-yl)amino]-2-cyano-3-[(2-methyl-1-benzofuran-5-yl)amino]prop-2-enamide

출처 및 근거

ORD 기록
ord-94c8ace871894474ab3c2cc05e7520bf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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