HRID1558154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID72879

Methanesulfonamide

CH5NO2S

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cc(C#N)cc(N2CCOCC2)c1

HCID67441006

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2cc(C(=O)NS(C)(=O)=O)ccc2NC1c1cc(C#N)cc(N2CCOCC2)c1

HCID53491764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51802e994c27403cae0d0af5657028be
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][c:5]([CH:15]2[NH:16][c:17]3[cH:18][cH:19][c:20]([C:27](=[O:28])[OH:29])[cH:21][c:22]3[CH2:23][C:24]2([CH3:25])[CH3:26])[cH:6][c:7]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:8]1.[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:42][S:43](=[O:44])(=[O:45])[NH2:46].[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[Cl:56][CH2:57][Cl:58].[ClH:30]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:15]2[NH:16][c:17]3[cH:18][cH:19][c:20]([C:27](=[O:29])[NH:46][S:43]([CH3:42])(=[O:44])=[O:45])[cH:21][c:22]3[CH2:23][C:24]2([CH3:25])[CH3:26])[cH:6][c:7]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:8]1