HRID180287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID9480

Benzenamine, 3,5-bis(trifluoromethyl)-

C8H5F6N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID58218786

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O

HCID51034888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af65cd9f9eb34158997d66418fb6657a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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