HRID816156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID24730129

未命名化合物

HCID24730367

Methyl 2-amino-1H-benzimidazole-4-carboxylate

C9H9N3O2

PRODUCTS

生成物

结构：COC(=O)c1cccc2nc(NC(=O)c3cccc(-c4cccc(C#N)c4)n3)[nH]c12

HCID178497583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7916aa9e6f74c149544149c46e641c6
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

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