HRID1117425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：Cc1cc([N+](=O)[O-])cc(C(=O)O)c1OC1CCN(C(=O)OC(C)(C)C)CC1

HCID18542573

未命名化合物

PRODUCTS

生成物

结构：Cc1cc([N+](=O)[O-])cc(C(N)=O)c1OC1CCN(C(=O)OC(C)(C)C)CC1

HCID18542755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dcc1f7021054651854609a39cebbea7
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]([C:25](=[O:26])[OH:27])[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][c:20]2[CH3:21])[CH2:12][CH2:13]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:28][C:29]([O:30][CH2:31][CH:32]([CH3:33])[CH3:34])=[O:35].[Cl:44][CH2:45][Cl:46].[NH3:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]([C:25](=[O:26])[NH2:38])[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][c:20]2[CH3:21])[CH2:12][CH2:13]1