HRID95804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID30165

Iodide ion

I-

HCID74499

Trimethylsulfoxonium

C3H9OS+

HCID166653

Hydride

H-

结构：CCOC(=O)C=Cc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

HCID77156692

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CC1c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

HCID66636987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2539e3c27387489d88067d4afc7dd9d1
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

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