HRID1214103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7966

Cyclohexanol

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID96039

N,N-Bis(2-chloroethyl)-p-toluenesulphonamide

C11H15Cl2NO2S

HCID4166097

4-methoxy-3,5-dimethylaniline

C9H13NO

PRODUCTS

生成物

结构：COc1c(C)cc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C

HCID19032387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8878c14e1f7f4edab8182de2c6f8608e
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

[CH3:2][O:3][c:4]1[c:5]([CH3:12])[cH:6][c:7]([NH2:11])[cH:8][c:9]1[CH3:10].[Cl:13][CH2:14][CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1)[CH2:27][CH2:28][Cl:29].[ClH:1].[I-:37].[K+:36].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:45].[OH:38][CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH3:2][O:3][c:4]1[c:5]([CH3:12])[cH:6][c:7]([N:11]2[CH2:14][CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]3[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]3)[CH2:27][CH2:28]2)[cH:8][c:9]1[CH3:10]