HRID126332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID10582770

Hydroxylamine, O-(2-fluoroethyl)-

C2H6FNO

结构：COC(=O)Cc1cccc(SCc2noc(-c3ccc(C(F)(F)F)cc3)c2C=O)c1

HCID57609426

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cccc(SCc2noc(-c3ccc(C(F)(F)F)cc3)c2C=NOCCF)c1

HCID76624850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eb68ada499f4f56846e74a8bf30a092
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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