HRID87901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID2734060

未命名化合物

HCID59389713

未命名化合物

HCID68509934

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2C)cc(F)c1NS(C)(=O)=O

HCID74382538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-874590ebbc154b87abc43616823a9066
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

[C:2](#[CH:3])[c:4]1[cH:5][c:6]([CH2:7][NH2:8])[cH:9][c:10]([F:17])[c:11]1[NH:12][S:13](=[O:14])(=[O:15])[CH3:16].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:18][N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1.[CH3:25][c:26]1[n:27][c:28]([C:37]([F:38])([F:39])[F:40])[cH:29][cH:30][c:31]1[CH:32]=[CH:33][C:34](=[O:35])[OH:36].[CH3:43][O:44][c:45]1[n:46][c:47]([O:48][CH3:49])[n:50][c:51]([N+:52]2([CH3:53])[CH2:54][CH2:55][O:56][CH2:57][CH2:58]2)[n:59]1.[Cl-:42].[ClH:1].[OH2:41]>>[C:2](#[CH:3])[c:4]1[cH:5][c:6]([CH2:7][NH:8][C:34]([CH:33]=[CH:32][c:31]2[c:26]([CH3:25])[n:27][c:28]([C:37]([F:38])([F:39])[F:40])[cH:29][cH:30]2)=[O:35])[cH:9][c:10]([F:17])[c:11]1[NH:12][S:13](=[O:14])(=[O:15])[CH3:16]