HRID285526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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+

HCID11195002

未命名化合物

HCID12243705

2-methylnicotinamide

C7H8N2O

HCID86621593

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)Cn1cnc2cccc(C#N)c21)c1ccc(C(C)(C)C)nc1Cl

HCID23633971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32d8d5783bf84f3ea66466025f5f6f7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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