HRID1555505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID1117

Sulfate

O4S-2

HCID8857

Ethyl acetate

C4H8O2

HCID70988

Benzaldehyde, 4-butyl-

C11H14O

HCID2724942

未命名化合物

HCID19989043

Methyl 5-(3-aminopropyl)thiophene-2-carboxylate

C9H13NO2S

PRODUCTS

产物

反应SMILES：CCCCc1ccc(CNCCCc2ccc(C(=O)OC)s2)cc1

HCID57251616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5815f2b0f04149cb9913cd3468ee68ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]=[O:10])[cH:11][cH:12]1.[CH3:14][O:15][C:16](=[O:17])[c:18]1[s:19][c:20]([CH2:23][CH2:24][CH2:25][NH2:26])[cH:21][cH:22]1.[CH3:34][C:35](=[O:36])[OH:37].[CH3:52][OH:53].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[ClH:13].[Na+:27].[Na+:28].[Na+:51].[O-:29][S:30]([O-:31])(=[O:32])=[O:33]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:26][CH2:25][CH2:24][CH2:23][c:20]2[s:19][c:18]([C:16]([O:15][CH3:14])=[O:17])[cH:22][cH:21]2)[cH:11][cH:12]1