HRID1217815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID11686

Dimethylmalonic acid

C5H8O4

HCID130500

未命名化合物

HCID59683214

未命名化合物

PRODUCTS

生成物

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

HCID57819873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83d117b14ae5436daba2264d7452cfe2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:24][C:25]([C:26](=[O:27])[OH:28])([C:29](=[O:30])[OH:31])[CH3:32].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[Cl:64][CH2:65][Cl:66].[ClH:1].[NH2:2][CH2:3][c:4]1[c:5]([NH:17][CH:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[c:6]2[c:7]([n:8][c:9]1[CH2:10][CH3:11])[n:12]([CH2:15][CH3:16])[n:13][cH:14]2.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH:2]([CH2:3][c:4]1[c:5]([NH:17][CH:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[c:6]2[c:7]([n:8][c:9]1[CH2:10][CH3:11])[n:12]([CH2:15][CH3:16])[n:13][cH:14]2)[C:29]([C:25]([CH3:24])([C:26](=[O:27])[OH:28])[CH3:32])=[O:30]