HRID1217231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID30165

Iodide ion

I-

HCID67717

Acetamide, 2,2,2-trifluoro-

C2H2F3NO

结构：O=C(NC1=NC2(c3cc(Br)ccc3F)COCC2CS1)c1ccccc1

HCID57504886

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(F)c(C23COCC2CSC(NC(=O)c2ccccc2)=N3)c1

HCID76550580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0debe1efc41a4d4d982021da4402c041
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([F:26])[c:6]([C:8]23[N:9]=[C:10]([NH:17][C:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)=[O:25])[S:11][CH2:12][CH:13]2[CH2:14][O:15][CH2:16]3)[cH:7]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:53][OH:54].[CH:42]1([NH2:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH:48]1[NH2:49].[Cu:50][I:51].[F:27][C:28]([F:29])([F:30])[C:32]([NH2:31])=[O:33].[I-:35].[K+:40].[K+:41].[Na+:34].[OH2:52]>>[c:2]1([NH2:31])[cH:3][cH:4][c:5]([F:26])[c:6]([C:8]23[N:9]=[C:10]([NH:17][C:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)=[O:25])[S:11][CH2:12][CH:13]2[CH2:14][O:15][CH2:16]3)[cH:7]1