HRID1567048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

结构：Cc1ccc(S(=O)(=O)C(NC=O)c2cc(F)ccc2F)cc1

HCID22170178

N-[(2,5-Difluorophenyl)(4-methylbenzene-1-sulfonyl)methyl]formamide

C15H13F2NO3S

PRODUCTS

生成物

结构：[C-]#[N+]C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(C)cc1

HCID22170180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad486c5c21b4467e92ddc7c87ebcadeb
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

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