HRID2124339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID2747746

2-cyano-3,3-bis(methylthio)acrylamide

C6H8N2OS2

HCID3157484

2-Methyl-1-benzofuran-5-amine

C9H9NO

HCID18612599

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2cc(NC(NC3CCCCN(Cc4ccccc4)C3=O)=C(C#N)C(N)=O)ccc2o1

HCID178422089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c8ace871894474ab3c2cc05e7520bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[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