HRID1144378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID72879

Methanesulfonamide

CH5NO2S

HCID104967

Cesium(1+)

Cs+

HCID5360545

Sodium

结构：CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(Br)c1

HCID44480597

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(NS(C)(=O)=O)c1

HCID44480599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c6813e5f76d401db2df01c2b0abda03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17][n:18](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[c:19]2[CH3:20])[cH:5][n:6][cH:7]1.[C:33]([O-:34])(=[O:35])[CH3:36].[C:41](=[O:42])([OH:43])[O-:44].[CH3:28][S:29](=[O:30])(=[O:31])[NH2:32].[CH3:46][S:47]([CH3:48])=[O:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl-:38].[Cs+:37].[Cu:56][I:57].[NH4+:39].[Na+:45].[Na:40]>>[c:2]1([NH:32][S:29]([CH3:28])(=[O:30])=[O:31])[cH:3][c:4]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17][n:18](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[c:19]2[CH3:20])[cH:5][n:6][cH:7]1