HRID812981

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+

HCID10240761

2-Cyclopropylethylamine

C5H11N

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)NCCC2CC2)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID75095853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f4ceb19706c4b68a44f60b718ea5879
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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