HRID107378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

HCID166653

Hydride

H-

结构：Fc1cccc(F)c1-c1nc2cn[nH]c2c2ccc(I)cc12

HCID66773474

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)n1ncc2nc(-c3c(F)cccc3F)c3cc(I)ccc3c21

HCID66773274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f083c9f44644047988c57e9c0336077
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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