HRID178283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID4574913

未命名化合物

HCID22467163

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC=C1CCC2(CC1)SC(=Cc1ccccc1)C(=O)N2CCC(=O)O

HCID86758067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c1d371420c140ac88771545eab0b175
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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