HRID190858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14343

4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-

C11H9NO3

HCID15908

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

C8H17N3

HCID96387

4-Phenylpiperidin-4-ol

C11H15NO

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1C(=O)N1CCC(O)(c2ccccc2)CC1

HCID59170068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46e716aaf4fe469fb2c6753a91437971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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