HRID936172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9602

Benzene, 1-(chloromethyl)-4-fluoro-

C7H6ClF

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

结构：CC(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)c(N)s1

HCID86600997

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)c(NC(=O)c2ccc(F)cc2)s1

HCID21098731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e06c1d96ca744ff84ad13fa29561281
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

[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([S:11](=[O:12])(=[O:13])[c:14]2[c:15]([NH2:22])[s:16][c:17]([C:19]([CH3:20])=[O:21])[cH:18]2)[CH3:23])[OH:24])[cH:6][cH:7]1.[F:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][Cl:33])[cH:34][cH:35]1.[F:36][c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[Cl:43])[cH:44][cH:45]1.[Na+:26].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:25]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([S:11](=[O:12])(=[O:13])[c:14]2[c:15]([NH:22][C:41]([c:40]3[cH:39][cH:38][c:37]([F:36])[cH:45][cH:44]3)=[O:42])[s:16][c:17]([C:19]([CH3:20])=[O:21])[cH:18]2)[CH3:23])[OH:24])[cH:6][cH:7]1