HRID808915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID2759571

3,6,9-trioxadecanoyl chloride

C7H13ClO4

结构：CC1=C(C#N)C(c2ccc(C#N)cc2)n2nc(N)nc2N1c1cccc(C(F)(F)F)c1

HCID71231844

未命名化合物

PRODUCTS

生成物

结构：COCCOCCOCC(=O)Nc1nc2n(n1)C(c1ccc(C#N)cc1)C(C#N)=C(C)N2c1cccc(C(F)(F)F)c1

HCID75217976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a3871dfccd246ce811cbf19124ff8c3
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

[CH3:33][O:34][CH2:35][CH2:36][O:37][CH2:38][CH2:39][O:40][CH2:41][C:42](=[O:43])[Cl:44].[ClH:1].[NH2:2][c:3]1[n:4][n:5]2[c:6]([n:32]1)[N:7]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[C:8]([CH3:21])=[C:9]([C:19]#[N:20])[CH:10]2[c:11]1[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]1.[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[NH:2]([c:3]1[n:4][n:5]2[c:6]([n:32]1)[N:7]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[C:8]([CH3:21])=[C:9]([C:19]#[N:20])[CH:10]2[c:11]1[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]1)[C:42]([CH2:41][O:40][CH2:39][CH2:38][O:37][CH2:36][CH2:35][O:34][CH3:33])=[O:43]