HRID320541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COC(=O)CNC(=O)c1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)C2

HCID19932613

N-[1,4-Dihydro-1-phenyl-3-(2-phenylcarbamoyl-cyanoacetyl)-indeno[1,2-c]pyrazol-7-yl]carbonyl-glycine methyl ester

C30H23N5O5

PRODUCTS

生成物

结构：N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1Cc1ccc(C(=O)NCC(=O)O)cc1-2

HCID53740921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd10642a66424b12a3093a9c65e4913b
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]([CH2:4][NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]2[c:38]([cH:39]1)-[c:14]1[c:13]([c:17]([C:18]([CH:19]([C:20]([NH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[C:29]#[N:30])=[O:31])[n:16][n:15]1-[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:12]2)=[O:40].[CH3:44][CH2:45][OH:46].[ClH:41].[K+:43].[OH-:42].[OH2:47]>>[O:2]=[C:3]([CH2:4][NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]2[c:38]([cH:39]1)-[c:14]1[c:13]([c:17]([C:18]([CH:19]([C:20]([NH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[C:29]#[N:30])=[O:31])[n:16][n:15]1-[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:12]2)[OH:40]