HRID827160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID7020335

Tert-butyl 4-aminobutanoate

C8H17NO2

结构：O=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)Oc1ccc([N+](=O)[O-])cc1

HCID11539448

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCCNC(=O)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

HCID178451048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c0655c419184ec59016a5b7d72a30a3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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