HRID2348204

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-

HCID66082

N-(2-Aminoethyl)acetamide

C4H10N2O

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)c2F)C1(C#N)c1ccc(Cl)cc1

HCID68618655

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCNC(=O)C1NC(CC(C)(C)C)C(C#N)(c2ccc(Cl)cc2)C1c1cccc(Cl)c1F

HCID75096003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7ac083656d24a98b0fb007e9365ee11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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