HRID1234652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID16032

2-(Diethylamino)ethanethiol

C6H15NS

HCID12543515

1-Propanol, ion(1-)

C3H7O-

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)OCC(C)(C)C)c3)n2)n1

HCID86615467

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)O)c3)n2)n1

HCID16747649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42942e74472249598e700ffe49612cb9
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

[CH2:39]([O-:40])[CH2:41][CH3:42].[CH2:44]([N:45]([CH2:46][CH3:47])[CH2:48][CH2:49][SH:50])[CH3:51].[CH2:53]([OH:54])[CH2:55][CH3:56].[CH3:1][C:2]([CH3:3])([CH3:37])[CH2:38][O:4][S:5](=[O:6])(=[O:7])[c:8]1[cH:9][c:10](-[c:14]2[cH:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22]([CH3:36])[cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:25]3)[n:19]2)[cH:11][cH:12][cH:13]1.[ClH:52].[Na+:43].[OH2:57]>>[O:4]=[S:5](=[O:6])([OH:7])[c:8]1[cH:9][c:10](-[c:14]2[cH:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22]([CH3:36])[cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:25]3)[n:19]2)[cH:11][cH:12][cH:13]1