HRID170304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID5058360

3-Hydroxymethylmorpholine

C5H11NO2

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2COS(C)(=O)=O)cc1)C(F)(F)F

HCID86670324

未命名化合物

PRODUCTS

生成物

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CN2CCOCC2CO)cc1)C(F)(F)F

HCID66582434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac8652c61618439ea4ab577ed81fc0ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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