HRID198336

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+

HCID11788365

未命名化合物

结构：N#CC1(c2ccc(Cl)cc2)C(c2cccc(Cl)c2)NC(C(=O)O)C1c1cccc(Cl)c1

HCID68618436

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(CCNC(=O)C2NC(c3cccc(Cl)c3)C(C#N)(c3ccc(Cl)cc3)C2c2cccc(Cl)c2)O1

HCID178431415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2aa63029a2248dca07663986fb06f96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][C:40]1([CH3:48])[O:41][CH2:42][CH:43]([CH2:45][CH2:46][NH2:47])[O:44]1.[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[Cl:82][CH2:83][Cl:84].[Cl:8][c:9]1[cH:10][c:11]([CH:15]2[CH:16]([C:36](=[O:37])[OH:38])[NH:17][CH:18]([c:29]3[cH:30][c:31]([Cl:35])[cH:32][cH:33][cH:34]3)[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-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[Cl:8][c:9]1[cH:10][c:11]([CH:15]2[CH:16]([C:36](=[O:38])[NH:47][CH2:46][CH2:45][CH:43]3[CH2:42][O:41][C:40]([CH3:39])([CH3:48])[O:44]3)[NH:17][CH:18]([c:29]3[cH:30][c:31]([Cl:35])[cH:32][cH:33][cH:34]3)[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