HRID86534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID79882

2,2-Dimethyl-1-propylamine

C5H13N

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)CNC(=O)C1NC(CC(C)(C)C)C(C#N)(c2ccc(Cl)cc2)C1c1cccc(Cl)c1

HCID72244025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d1e66ac82484d7bb1e1a532bf7d5e68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:30][C:31]([CH2:32][NH2:33])([CH3:34])[CH3:35].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[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:69][CH2:70][Cl:71].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([C:27](=[O:29])[NH:33][CH2:32][C:31]([CH3:30])([CH3:34])[CH3:35])[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