HRID94244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)COc1ccc(SCc2cccc3oc(-c4ccc(C(F)(F)F)cc4)nc23)cc1C

HCID59732662

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(SCc2cccc3oc(-c4ccc(C(F)(F)F)cc4)nc23)ccc1OCC(=O)O

HCID10390096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32c4e584af574c748d47c86ecef42a3b
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][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12][c:13]([S:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][c:21]3[c:22]2[n:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[o:25]3)[cH:14]1.[CH3:37][CH2:38][OH:39].[ClH:36].[Na+:41].[OH-:40]>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[OH:8])[cH:11][cH:12][c:13]([S:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][c:21]3[c:22]2[n:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[o:25]3)[cH:14]1