HRID2340401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID887

Methanol

CH4O

HCID1061

Phosphate

O4P-3

HCID1088

N-Methylglycine

C3H7NO2

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID72879

Methanesulfonamide

CH5NO2S

结构：O=c1c(C2=NS(=O)(=O)c3cc(I)ccc3N2)c(O)c2cccn2n1Cc1ccc(F)cc1

HCID178515433

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cccn3n(Cc3ccc(F)cc3)c1=O)N2

HCID178504986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ed090b797ae4ee1879a9b369d614bbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:41][NH:42][CH2:43][C:44](=[O:45])[OH:46].[CH3:47][S:48](=[O:49])(=[O:50])[NH2:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:65][CH2:66][O:67][CH2:68][CH3:69].[CH3:70][OH:71].[Cu:63][I:64].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[n:8]3[c:9]([c:10]([OH:27])[c:11]([C:14]4=[N:15][S:16](=[O:25])(=[O:26])[c:17]5[c:18]([cH:20][cH:21][c:22]([I:24])[cH:23]5)[NH:19]4)[c:12]2=[O:13])[cH:28][cH:29][cH:30]3)[cH:31][cH:32]1.[K+:38].[K+:39].[K+:40].[P:33]([O-:34])([O-:35])([O-:36])=[O:37]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[n:8]3[c:9]([c:10]([OH:27])[c:11]([C:14]4=[N:15][S:16](=[O:25])(=[O:26])[c:17]5[c:18]([cH:20][cH:21][c:22]([NH:51][S:48]([CH3:47])(=[O:49])=[O:50])[cH:23]5)[NH:19]4)[c:12]2=[O:13])[cH:28][cH:29][cH:30]3)[cH:31][cH:32]1