HRID959139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID6362

2-Iodopropane

C3H7I

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(NC(=O)c2cnc(C#N)nc2NCC2CCC3(CC2)CC3)CC1

HCID68706432

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Cc2ccccc2)(NC(=O)c2cnc(C#N)nc2NCC2CCC3(CC2)CC3)CC1

HCID86627795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a2ca841b073475da0bc9e5270ffcef3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][C:11]([NH:14][C:15](=[O:16])[c:17]2[c:18]([NH:25][CH2:26][CH:27]3[CH2:28][CH2:29][C:30]4([CH2:31][CH2:32]4)[CH2:33][CH2:34]3)[n:19][c:20]([C:23]#[N:24])[n:21][cH:22]2)([CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[CH:55]([CH3:56])([CH3:57])[I:58].[Cl:59][CH2:60][Cl:61].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48].[K+:49].[K+:50].[O-:51][C:52]([O-:53])=[O:54]>>[N:8]1([CH:55]([CH3:56])[CH3:57])[CH2:9][CH2:10][C:11]([NH:14][C:15](=[O:16])[c:17]2[c:18]([NH:25][CH2:26][CH:27]3[CH2:28][CH2:29][C:30]4([CH2:31][CH2:32]4)[CH2:33][CH2:34]3)[n:19][c:20]([C:23]#[N:24])[n:21][cH:22]2)([CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:12][CH2:13]1