HRID689030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID192734

5-Hydroxy-3-methylindole

C9H9NO

HCID59712234

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ccc(Oc3ccnc4cc(OCCCN5CCCC5)c(C#N)cc34)cc12

HCID10296063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87fbe2d47211474581f7bae588d8cb67
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

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