HRID1206193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6395

Methanesulfonic acid

CH4O3S

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

HCID166653

Hydride

H-

结构：CC(=O)N1CCC(c2nc(CO)c(-c3ccc(F)cc3)o2)CC1

HCID18700463

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(c2nc(COCC(F)(F)F)c(-c3ccc(F)cc3)o2)CC1

HCID18700469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de3f175bd1de455fae08749a29e04b8b
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

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