HRID2314878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)c1csc(-c2cc3cc(CCCCl)ccc3o2)n1

HCID19603748

2-[5-(3-Chloropropyl)-2-benzofuranyl]-4-(1,1-dimethylethyl)thiazole

C18H20ClNOS

HCID19603804

6-Methyl-1H-indole-3-carbonitrile

C10H8N2

PRODUCTS

生成物

结构：Cc1ccc2c(C#N)cn(CCCc3ccc4oc(-c5nc(C(C)(C)C)cs5)cc4c3)c2c1

HCID19603691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cafbaa2680ad4b2ebc61bd5ad5dcef12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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