HRID667373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID53400832

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

C8H8N2O2

HCID59277589

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1[nH]c2ccccc2c1C#N)C(=O)C=Cc1ccc(N)nc1

HCID66967255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da31764dff5946d79aceb4be42a1ef19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:17][NH:18][CH2:19][c:20]1[nH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[c:28]1[C:29]#[N:30].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[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].[OH2:56].[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:18]([CH3:17])[CH2:19][c:20]2[nH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[c:28]2[C:29]#[N:30])[cH:10][n:11]1