HRID1234799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31374

Dimethylacetamide

C4H9NO

HCID2782165

6-Chloropyridine-3-carbonyl chloride

C6H3Cl2NO

结构：Cc1cccc(-c2nc(N)sc2-c2ccnc(NC3CCCC3)c2)c1

HCID17862984

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2nc(NC(=O)c3ccc(Cl)nc3)sc2-c2ccnc(NC3CCCC3)c2)c1

HCID10206629

6-CHLORO-N-[5-(2-CYCLOPENTYLAMINO-4-PYRIDYL)-4-(3-METHYLPHENYL)-1,3-THIAZOL-2-YL]NICOTINAMIDE

C26H24ClN5OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-132524a4b0b94247833a82f9a27bd720
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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