HRID183634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID574321

1H-Imidazole-2-carboxylic acid

C4H4N2O2

HCID4641409

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

C10H15N6O+

HCID59451460

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F)C(=O)c1ncc[nH]1

HCID59451452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9edcfa145d794f7a8c7b40ae969fe9ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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