HRID314244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID456732

4-cyanobenzohydrazide

C8H7N3O

HCID68632043

未命名化合物

PRODUCTS

生成物

结构：CC(O)C(Nc1ccc(C#N)c2sccc12)C(=O)NNC(=O)c1ccc(C#N)cc1

HCID178468229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c9b6d2f1b4644e58637b7d8fa582c15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([NH:12][CH:13]([C:14](=[O:15])[OH:16])[CH:17]([CH3:18])[OH:19])[c:7]2[c:8]1[s:9][cH:10][cH:11]2.[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.[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([NH:12][CH:13]([C:14](=[O:16])[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:17]([CH3:18])[OH:19])[c:7]2[c:8]1[s:9][cH:10][cH:11]2