HRID689136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID226682

Benzoyl-dl-valine

C12H15NO3

HCID1203613

4-(4-chlorophenyl)piperidine

C11H14ClN

PRODUCTS

生成物

结构：CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1

HCID57888953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e72cb765939f4ea49e8adeea67cb9037
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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