HRID668518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl Acetate

C4H8O2

HCID10264015

6-chloro-2-piperazin-1-yl-quinoline

C13H14ClN3

HCID21100306

5-(Methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

C11H11F3O5S

PRODUCTS

产物

HCID68971464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e39fdd3917c04fa39bf951d123781d24
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

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