HRID2129699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3702610

2,3-Dimethyl-1H-indole-7-carboxylic acid

C11H11NO2

HCID7162049

3-pyrimidin-5-ylaniline

C10H9N3

PRODUCTS

生成物

结构：Cc1[nH]c2c(C(=O)Nc3cccc(-c4cncnc4)c3)cccc2c1C

HCID23503684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b87597ccb774d9b92c173e2f985e8ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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