HRID1541170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

结构：COC(=O)C1CN(CC#Cc2cc(F)cc(F)c2F)CCC1CCC(=O)c1ccnc2ccc(OC)cc12

HCID145706083

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nccc(C(=O)CCC3CCN(CC#Cc4cc(F)cc(F)c4F)CC3C(=O)O)c2c1

HCID10006546

4-[3-(6-Methoxy-4-quinolinyl)-3-oxopropyl]-1-[3-(2,3,5-trifluorophenyl)-2-propyn-1-yl]-3-piperidinecarboxylic acid

C28H25F3N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2361c152bbf947dd8539fb926579030d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[OH:44].[CH:46]([Cl:47])([Cl:48])[Cl:49].[ClH:39].[Na+:45].[O:1]=[C:2]([CH2:3][CH2:4][CH:5]1[CH:6]([C:23](=[O:24])[O:25][CH3:26])[CH2:7][N:8]([CH2:11][C:12]#[C:13][c:14]2[c:15]([F:22])[c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]2)[CH2:9][CH2:10]1)[c:27]1[cH:28][cH:29][n:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][c:36]12.[OH2:40]>>[O:1]=[C:2]([CH2:3][CH2:4][CH:5]1[CH:6]([C:23](=[O:24])[OH:25])[CH2:7][N:8]([CH2:11][C:12]#[C:13][c:14]2[c:15]([F:22])[c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]2)[CH2:9][CH2:10]1)[c:27]1[cH:28][cH:29][n:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][c:36]12