HRID1558504

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID232710

pyridine-3-sulfonamide

C5H6N2O2S

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(NS(=O)(=O)c4cccnc4)ccc3N2)=C(O)C2C3CCC(C3)C2N1Cc1ccc(F)cc1

HCID178515437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37e9a9bc3ba54b6193d5c4c5e2f35386
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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