HRID174408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22139101

1-Ethyl-N-methyl-1H-indole-3-methanamine

C12H16N2

HCID53400832

3-(6-Aminopyridin-3-yl)prop-2-enoic acid

C8H8N2O2

PRODUCTS

生成物

结构：CCn1cc(CN(C)C(=O)C=Cc2ccc(N)nc2)c2ccccc21

HCID66781088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0437e3ab361246429df5ecb7c95a2c15
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

[CH2:17]([CH3:18])[n:19]1[cH:20][c:21]([CH2:28][NH:29][CH3:30])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12.[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[NH2:5][c:6]1[cH:7][cH:8][c:9]([CH:12]=[CH:13][C:14](=[O:15])[OH:16])[cH:10][n:11]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:41].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[NH2:5][c:6]1[cH:7][cH:8][c:9]([CH:12]=[CH:13][C:14](=[O:16])[N:29]([CH2:28][c:21]2[cH:20][n:19]([CH2:17][CH3:18])[c:27]3[c:22]2[cH:23][cH:24][cH:25][cH:26]3)[CH3:30])[cH:10][n:11]1