HRID141768

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

HCID7210836

3-methoxycarbonyl-5-methylbenzoic acid

C10H10O4

HCID59683214

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)OC)c1

HCID57813541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fdc2c3e34424b2abc95d69e8f5306bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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