HRID957487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2736911

2,5-Difluorobenzenesulfonyl chloride

C6H3ClF2O2S

结构：Nc1ccc(F)c(-c2nn3c(c2-c2ccncc2)SCC3)c1F

HCID58477112

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(Nc1ccc(F)c(-c2nn3c(c2-c2ccncc2)SCC3)c1F)c1cc(F)ccc1F

HCID46220513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-370e10b0c1ce4cd2982aed77c3b89b6d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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