HRID296409

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

HCID21097526

N-[4-(Aminomethyl)-2-fluorophenyl]methanesulfonamide

C8H11FN2O2S

HCID68509934

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1

HCID68782220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-224d870f295044a5a0cc9c8b78c51d42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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