HRID134570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID317540

(2-phenylcyclopropyl)methanol

C10H12O

结构：CC1=C(C(=O)[O-])C(c2cccc(Cl)c2)C(C(=O)OCCC#N)=C(C)N1

HCID86757801

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCC2CC2c2ccccc2)=C(C)N1

HCID69589908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-169d75a79d434c08a77c10a61859764a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[C:9]([C:19](=[O:20])[O:21][CH2:22][CH2:23][C:24]#[N:25])=[C:10]([CH3:18])[NH:11][C:12]([CH3:17])=[C:13]2[C:14](=[O:15])[O-:16])[cH:5][cH:6][cH:7]1.[Cl:59][CH2:60][Cl:61].[ClH:37].[OH2:49].[c:26]1([CH:32]2[CH:33]([CH2:35][OH:36])[CH2:34]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[C:9]([C:19](=[O:20])[O:21][CH2:22][CH2:23][C:24]#[N:25])=[C:10]([CH3:18])[NH:11][C:12]([CH3:17])=[C:13]2[C:14](=[O:15])[O:16][CH2:35][CH:33]2[CH:32]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:34]2)[cH:5][cH:6][cH:7]1