HRID1535550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9864

Cyanamide

CH2N2

HCID15908

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

C8H17N3

HCID23065

Benzene, 1,2-dichloro-4-isothiocyanato- (9CI)

C7H3Cl2NS

HCID5360545

Sodium

HCID76584919

未命名化合物

PRODUCTS

生成物

结构：CCN1CCCC(CN2CCN(C(=NC#N)Nc3ccc(Cl)c(Cl)c3)CC2)C1

HCID178462548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2e7e266966948149306244a31356044
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

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