HRID2150574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

HCID21643653

2H-Pyrazolo[4,3-b]pyridine

C6H5N3

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Br)cc1

HCID57942597

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2ncc3ncccc32)cc1

HCID25134400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f8a8c9315fa4e6286b521de48526b25
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

[Br:1][c:2]1[n:3][cH:4][c:5]([Cl:22])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:16][cH:17]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:32][NH:33][CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH:39]1[NH:40][CH3:41].[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cs+:46].[Cs+:47].[Cu:54]([I:55])[I:56].[OH2:57].[nH:23]1[n:24][cH:25][c:26]2[n:27][cH:28][cH:29][cH:30][c:31]12>>[c:2]1(-[n:23]2[n:24][cH:25][c:26]3[n:27][cH:28][cH:29][cH:30][c:31]23)[n:3][cH:4][c:5]([Cl:22])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:16][cH:17]1