HRID828005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCCCl

HCID59447646

Ethyl 2-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-5-(3-chloropropyl)-4-thiazolecarboxylate

C26H25ClN4O3S2

PRODUCTS

生成物

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCCI

HCID59447467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd214dd38dec42f2b0fad7bfe617d333
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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