HRID1540074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID45084750

5-Ethynylthiophene-2-carboxylic acid

C7H4O2S

HCID66974102

2(1H)-Pyridinone, 1-[4-[4-(aminomethyl)-1H-imidazol-1-yl]phenyl]-

C15H14N4O

PRODUCTS

生成物

结构：C#Cc1ccc(C(=O)NCc2cn(-c3ccc(-n4ccccc4=O)cc3)cn2)s1

HCID24760452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4729df4651054de1a3752800b1565bb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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