HRID2131324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID16702

3-Aminobenzonitrile

C7H6N2

HCID4641409

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

C10H15N6O+

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)Nc1cccc(C#N)c1)N1Cc2c(Cl)cnc3[nH]cc(c23)C1=O

HCID75301974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec49fd48c0da4142bbcfc3d586472efd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]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.[NH2:22][c:23]1[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]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])[NH:22][c:23]2[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30]2)[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13