HRID312245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

HCID3715

Indomethacin

C19H16ClNO4

HCID6342

Acetonitrile

C2H3N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID72663

N-(2-hydroxyethyl)nicotinamide

C8H10N2O2

PRODUCTS

生成物

结构：COc1ccc2c(c1)c(CC(=O)OCCNC(=O)c1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1

HCID15680016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9a42b2518644b129f48be01901adfea
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

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