HRID1152087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID4019172

2,6-Pyridinedicarboxylic acid monomethyl ester

C8H7NO4

HCID59683214

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)OC)n1

HCID57819362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68f522f1957c4dd585b036d3ede70afd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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