HRID321071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

反应SMILES：CC12CCC(C#N)=CC1=CCC1C2CCC2(C)C(C(=O)NC(c3ccccc3)c3ccccc3)CCC12

HCID178421217

未命名化合物

PRODUCTS

产物

反应SMILES：CC12CCC(C(=O)O)=CC1=CCC1C2CCC2(C)C(C(=O)NC(c3ccccc3)c3ccccc3)CCC12

HCID178421240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5d2f4a89ea3b477aad311cb9204ce1e4
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

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