HRID2143402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1048

Pyrazole

C3H4N2

HCID6344

Dichloromethane

CH2Cl2

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

结构：CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(C)(C)CCS3(=O)=O)c1O

HCID178418286

未命名化合物

PRODUCTS

生成物

结构：CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(C)(C)CCS3(=O)=O)c1OS(=O)(=O)CC

HCID15477358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af3fc1725319408c92de7c557d089a8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]([CH3:39])[S:40](=[O:41])(=[O:42])[Cl:43].[CH2:44]([Cl:45])[Cl:46].[CH2:49]([N+:50]([CH2:51][CH3:52])([CH2:53][CH3:54])[CH2:55][CH3:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[cH:16][n:17][n:18]([CH2:21][CH3:22])[c:19]3[OH:20])[c:10]([CH3:12])[c:11]21.[Cl-:48].[K+:36].[K+:37].[OH2:47].[nH:27]1[cH:28][cH:29][cH:30][n:31]1>>[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[cH:16][n:17][n:18]([CH2:21][CH3:22])[c:19]3[O:20][S:40]([CH2:38][CH3:39])(=[O:41])=[O:42])[c:10]([CH3:12])[c:11]21