HRID809955

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

HCID2735219

2-Acetamido-5-aminopyridine

C7H9N3O

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)cc1F

HCID66688251

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(NC(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)cn1

HCID72243893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e153db605444d7fb6e86873afcc4ab8
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:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[Cl:83][CH2:84][Cl:85].[Cl:8][c:9]1[c:10]([F:38])[c:11]([CH:15]2[CH:16]([C:35](=[O:36])[OH:37])[NH:17][CH:18]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:19]2([C:20]#[N:21])[c:22]2[c:23]([F:29])[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].[NH2:39][c:40]1[cH:41][cH:42][c:43]([NH:46][C:47]([CH3:48])=[O:49])[n:44][cH:45]1.[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[Cl:8][c:9]1[c:10]([F:38])[c:11]([CH:15]2[CH:16]([C:35](=[O:36])[NH:39][c:40]3[cH:41][cH:42][c:43]([NH:46][C:47]([CH3:48])=[O:49])[n:44][cH:45]3)[NH:17][CH:18]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:19]2([C:20]#[N:21])[c:22]2[c:23]([F:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1