HRID301467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID237332

5-(Hydroxymethyl)-2-furfural

C6H6O3

HCID13131455

3-(Hydroxymethyl)benzaldehyde

C8H8O2

HCID54033427

未命名化合物

结构：CCOC(=O)C=Cc1cccc(CN(CC)CC=CC#CC(C)(C)C)c1

HCID54123930

未命名化合物

HCID54127829

未命名化合物

PRODUCTS

生成物

结构：CCN(CC=CC#CC(C)(C)C)Cc1cccc(C=CC(=O)O)c1

HCID173348053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d4b7a41629b494abeccd4fd61e95da7
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

[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]=[CH:6][C:7]#[C:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][c:16]([CH:17]=[CH:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25][cH:26]1.[CH2:38]([NH:39][CH2:40][CH:41]=[CH:42][C:43]#[C:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH3:49].[CH2:60]([NH:61][CH2:62][CH:63]=[CH:64][C:65]#[C:66][C:67]([O:68][CH3:69])([CH3:70])[CH3:71])[CH3:72].[ClH:37].[ClH:59].[K+:74].[OH-:73].[OH:27][CH2:28][c:29]1[cH:30][c:31]([CH:35]=[O:36])[cH:32][cH:33][cH:34]1.[OH:50][CH2:51][c:52]1[o:53][c:54]([CH:55]=[O:56])[cH:57][cH:58]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]=[CH:6][C:7]#[C:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][c:16]([CH:17]=[CH:18][C:19](=[O:20])[OH:21])[cH:24][cH:25][cH:26]1