HRID120076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID79832

3,4-Dimethoxybenzylamine

C9H13NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736653

未命名化合物

HCID53222719

2-Chloro-5-(3,5-dimethylphenyl)pyridine-3-carboxylic acid

C14H12ClNO2

PRODUCTS

生成物

结构：COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2Cl)cc1OC

HCID58539033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97b8e19ed59b4789895c96a4e0d7fd35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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