HRID177893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1727

4-Aminopyridine

C5H6N2

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：CC(C)(C)OC(=O)NC1CCSc2cc(C(=O)O)ccc21

HCID22337443

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCSc2cc(C(=O)Nc3ccncc3)ccc21

HCID22337376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6aff2543202c488882d023260e66756b
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

[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][S:15][c:16]2[cH:17][c:18]([C:22](=[O:23])[OH:24])[cH:19][cH:20][c:21]21.[CH3:1][C:2]#[N:3].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:33][c:34]1[cH:35][cH:36][cH:37][cH:38][n+:39]1[CH3:40].[I-:32].[NH2:25][c:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1.[OH2:41]>>[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][S:15][c:16]2[cH:17][c:18]([C:22](=[O:24])[NH:25][c:26]3[cH:27][cH:28][n:29][cH:30][cH:31]3)[cH:19][cH:20][c:21]21