HRID1117225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID70615

Ethyl hydrogen malonate

C5H8O4

HCID130500

未命名化合物

HCID59683214

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(=O)NCc1c(CC)nc2c(cnn2CC)c1NC1CCOCC1

HCID57819880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32648fad84e44f55a5b11bb53a1dfce3
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

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