HRID940444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

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+

HCID57939018

未命名化合物

HCID58298450

未命名化合物

PRODUCTS

生成物

结构：CCC(C#N)(CC)c1ccc(C(C)NC(=O)Cn2cnc3ccc(F)c(F)c32)cc1

HCID24850279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad3b47f771884405abc82992ddb4cf53
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:65][C:66]#[N:67].[F:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([n:23]([CH2:26][C:27](=[O:28])[OH:29])[cH:24][n:25]2)[c:30]1[F:31].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:10]([C:11]#[N:12])([CH2:13][CH3:14])[CH2:15][CH3:16])[cH:8][cH:9]1.[Na+:64].[OH-:63].[OH2:68].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:10]([C:11]#[N:12])([CH2:13][CH3:14])[CH2:15][CH3:16])[cH:8][cH:9]1)[C:27]([CH2:26][n:23]1[c:22]2[c:21]([cH:20][cH:19][c:18]([F:17])[c:30]2[F:31])[n:25][cH:24]1)=[O:28]