HRID211483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID58298447

未命名化合物

HCID58298459

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)Cn1cnc2ccc(F)c(Cl)c21)c1ccc(C(C)(C)C#N)cc1

HCID66649302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f23f3b0bb88a4ab192728fdd76f87c5a
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

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:61][C:62]#[N:63].[Cl:1][c:2]1[c:3]([F:15])[cH:4][cH:5][c:6]2[c:7]1[n:8]([CH2:11][C:12](=[O:13])[OH:14])[cH:9][n:10]2.[NH2:16][CH:17]([CH3:18])[c:19]1[cH:20][cH:21][c:22]([C:25]([C:26]#[N:27])([CH3:28])[CH3:29])[cH:23][cH:24]1.[Na+:65].[OH-:64].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[c:3]([F:15])[cH:4][cH:5][c:6]2[c:7]1[n:8]([CH2:11][C:12](=[O:14])[NH:16][CH:17]([CH3:18])[c:19]1[cH:20][cH:21][c:22]([C:25]([C:26]#[N:27])([CH3:28])[CH3:29])[cH:23][cH:24]1)[cH:9][n:10]2