HRID194091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(O)cc2)c(C)c1

HCID11211246

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1

HCID11225236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbeaa0940540437bb280ce5d6580ce4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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