HRID2329755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID87063

2,2,2-Trichloroethoxycarbonyl chloride

C3H2Cl4O2

结构：Cc1noc(N)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22236112

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(NC(=O)OCC(Cl)(Cl)Cl)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22235871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-598df584d934482aaee9fd1bab2a87dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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