HRID87002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

HCID67478854

4-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenol

C19H16N4O3S

PRODUCTS

产物

HCID67478913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b2631f73eafc4ed2bc608e3c68f8abe8
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:38](=[O:39])([O-:40])[O-:41].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:21]2[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]2)[n:19]3)[cH:9][cH:10]1.[CH3:44][C:45]#[N:46].[Cl:29][CH2:30][CH2:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[ClH:28].[K+:42].[K+:43]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:21]2[cH:22][cH:23][c:24]([O:27][CH2:30][CH2:31][N:32]4[CH2:33][CH2:34][O:35][CH2:36][CH2:37]4)[cH:25][cH:26]2)[n:19]3)[cH:9][cH:10]1