HRID946572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75982

2,2'-Oxybis(ethylamine)

C4H12N2O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID67296837

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)NCCOCCN)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID75096415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b9929fe1b9e4bcaa9eb3664415ea2f3
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

[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([C:27](=[O:28])[OH:29])[NH:10][CH:11]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:70][CH2:71][Cl:72].[O:30]([CH2:31][CH2:32][NH2:33])[CH2:34][CH2:35][NH2:36].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([C:27](=[O:29])[NH:36][CH2:35][CH2:34][O:30][CH2:31][CH2:32][NH2:33])[NH:10][CH:11]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1