HRID1235581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

2 次

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1117

Sulfate

O4S-2

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

反应SMILES：COc1ccc(C2Sc3ccccc3NC(=O)C2O)cc1

HCID3260419

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2O)cc1

HCID11068728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e5817c001fa746af9d4a391ed3c71f7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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