HRID2160766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID96829

2-(2,4-Dichlorophenoxy)aniline

C12H9Cl2NO

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1

HCID15951869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9983f53ced2f467fb79383ea24b8b93b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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