HRID140798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4359525

3-Nitro-o-phenylenediamine

C6H7N3O2

HCID10656390

未命名化合物

PRODUCTS

生成物

结构：CN(CCCC(=O)Nc1cccc([N+](=O)[O-])c1N)C(=O)OC(C)(C)C

HCID68412474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9961e7a62ca84c3a8fba3cbea619a658
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

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