HRID282765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CC(NC(=O)CC(O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)c1ccccc1

HCID72954860

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CC(O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID3025811

7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

C25H24FNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f99627cecd384bb393a4b41285c4df09
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

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