HRID290559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID518002

2-Fluoro-3-(trifluoromethyl)benzoic acid

C8H4F4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1

HCID57562617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-241bd34eede8462596e24cd9e805b0d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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