HRID189119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID456732

4-cyanobenzohydrazide

C8H7N3O

HCID67006033

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：C=Cc1c(NC(C(=O)NNC(=O)c2ccc(C#N)cc2)C(C)O)ccc(C#N)c1Cl

HCID67006050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-800e5356a203426595b100d82649cf95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:20](#[N:21])[c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][NH2:29])[cH:30][cH:31]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[Cl:1][c:2]1[c:3]([CH:18]=[CH2:19])[c:4]([NH:10][CH:11]([C:12](=[O:13])[OH:14])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9].[ClH:42].[OH:32][c:33]1[c:34]2[n:35][n:36][nH:37][c:38]2[cH:39][cH:40][cH:41]1>>[Cl:1][c:2]1[c:3]([CH:18]=[CH2:19])[c:4]([NH:10][CH:11]([C:12](=[O:14])[NH:29][NH:28][C:26]([c:25]2[cH:24][cH:23][c:22]([C:20]#[N:21])[cH:31][cH:30]2)=[O:27])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9]