HRID1552455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID5360545

Sodium

HCID11805994

N-(4-Chlorophenyl)-N'-cyanothiourea

C8H6ClN3S

HCID18351923

未命名化合物

HCID53628863

未命名化合物

PRODUCTS

生成物

结构：COC(OC)C1(C)Oc2ccc(C#N)cc2C(NC(=NC#N)Nc2ccc(Cl)cc2)C1O

HCID178499571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77e9f5a961fc4072822ea063119f5b38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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