HRID2143481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12

HCID25138305

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2sc3ccccc3c2C)cc1

HCID56723940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91916b8a55b949a2962aa10961207a7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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