HRID1207039

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-

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(SC(F)(F)F)cc4)cc3)c(Cl)cc21

HCID67080635

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1ccc(SC(F)(F)F)cc1)c1ccc(Oc2cc3c(cc2Cl)C(C(=O)O)CCO3)cc1

HCID44598936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff294e4d34e943b48d2be12d806a9ae8
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

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