HRID1232170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6395

Methanesulfonic acid

CH4O3S

HCID14812

Phosphorus oxide (P4O10)

O10P4

HCID138276

4-Methoxy-3-methylphenylacetic acid

C10H12O3

HCID21986373

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)cc2C)cc1C

HCID21986370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fe556d44ee6452c8985627c7460cfc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:20][O:21][c:22]1[c:23]([CH3:32])[cH:24][c:25]([CH2:28][C:29](=[O:30])[OH:31])[cH:26][cH:27]1.[CH3:33][c:34]1[cH:35][c:36](-[c:39]2[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]2)[s:37][cH:38]1.[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[O:6]=[P:7]12[O:8][P:9]3(=[O:19])[O:10][P:11](=[O:17])([O:12][P:13](=[O:16])([O:14]3)[O:15]1)[O:18]2.[OH2:54]>>[CH3:20][O:21][c:22]1[c:23]([CH3:32])[cH:24][c:25]([CH2:28][C:29](=[O:31])[c:38]2[c:34]([CH3:33])[cH:35][c:36](-[c:39]3[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]3)[s:37]2)[cH:26][cH:27]1