HRID1120264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75567

4-Pyrrolidinopyridine

C9H12N2

HCID2762894

3-Amino-5-methylpyridine

C6H8N2

HCID86641859

未命名化合物

PRODUCTS

生成物

结构：Cc1cncc(NC(=O)c2cccc(C(C)Nc3cncc(Cl)n3)c2)c1

HCID59331633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c9eebb5af1e4d649ff3a15c7f431a2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:20][c:21]1[cH:22][c:23]([NH2:27])[cH:24][n:25][cH:26]1.[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19]2)[n:7]1.[Cl:58][CH2:59][Cl:60].[ClH:28].[N:40]1([c:41]2[cH:42][cH:43][n:44][cH:45][cH:46]2)[CH2:47][CH2:48][CH2:49][CH2:50]1>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][c:13]([C:14](=[O:16])[NH:27][c:23]3[cH:22][c:21]([CH3:20])[cH:26][n:25][cH:24]3)[cH:17][cH:18][cH:19]2)[n:7]1