HRID701351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID21598642

Thiane-4-carboxylic acid

C6H10O2S

结构：CN(C(=O)N(C)C1CCNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123401235

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CCN(C(=O)C2CCSCC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178485863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b533978977d14fb99943710b5cb0b8e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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