HRID943836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID11182605

O-(cyclopropylmethyl)hydroxylamine

C4H9NO

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1

HCID68618655

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)NOCC2CC2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1

HCID72243922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec4299774a5f4c9293b9a69567726f16
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:38]1([CH2:41][O:42][NH2:43])[CH2:39][CH2:40]1.[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:77][CH2:78][Cl:79].[Cl:8][c:9]1[c:10]([F:37])[c:11]([CH:15]2[CH:16]([C:34](=[O:35])[OH:36])[NH:17][CH:18]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:19]2([C:20]#[N:21])[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[Cl:8][c:9]1[c:10]([F:37])[c:11]([CH:15]2[CH:16]([C:34](=[O:36])[NH:43][O:42][CH2:41][CH:38]3[CH2:39][CH2:40]3)[NH:17][CH:18]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:19]2([C:20]#[N:21])[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1