HRID2315445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

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+

HCID17750956

6-Methoxy-1H-indole-3-carboxylic acid

C10H9NO3

HCID59451405

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)NCc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)c[nH]c2c1

HCID59451549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c64ebf0ad2264a1c924da470a03a1ea5
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

[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([C:31](=[O:32])[OH:33])[cH:27][nH:28][c:29]2[cH:30]1.[CH3:72][C:73]#[N:74].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([Cl:19])[c:7]([O:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][c:16]([Cl:18])[cH:17]2)[cH:8]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([Cl:19])[c:7]([O:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][c:16]([Cl:18])[cH:17]2)[cH:8]1)[C:31]([c:26]1[c:25]2[cH:24][cH:23][c:22]([O:21][CH3:20])[cH:30][c:29]2[nH:28][cH:27]1)=[O:32]