HRID1234040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID22181493

未命名化合物

结构：CC(C)C(C(=O)O)N1Cc2c(Cl)cnc3[nH]cc(c23)C1=O

HCID178447606

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C(=O)N1CCC(C#N)C1)N1Cc2c(Cl)cnc3[nH]cc(c23)C1=O

HCID75301936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3add8583fb814fbb94d3a3370f0ed7f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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