HRID2152819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1088

N-Methylglycine

C3H7NO2

HCID24350

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

CuI

HCID642157

isothiazolidine 1,1-dioxide

C3H7NO2S

结构：O=C1C(C2=NS(=O)(=O)c3cc(I)ccc3N2)=C(O)C2C3CCC(C3)C2N1Cc1ccc(F)cc1

HCID178515432

未命名化合物

PRODUCTS

生成物

结构：O=C1C(C2=NS(=O)(=O)c3cc(N4CCCS4(=O)=O)ccc3N2)=C(O)C2C3CCC(C3)C2N1Cc1ccc(F)cc1

HCID178515434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6223155962944900950feddd2aa21cbe
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

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