HRID1537201

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

HCID82604

Nicotinoyl chloride

C6H4ClNO

结构：Cc1cccc(-c2nc(N)sc2-c2ccnc(NCc3ccccc3)c2)c1

HCID21964259

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccnc(NCc3ccccc3)c2)c1

HCID10277320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f401f9d497345329028a5debfaa0876
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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