HRID683524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID16202444

未命名化合物

HCID16202445

4-[(5-Iodopentyl)oxy]benzonitrile

C12H14INO

HCID19381510

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(OCCCCCOc3ccc(C#N)cc3)cc2)c(C(C)C)s1

HCID16202446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e82edef9e1c74cf0bca74f5e7015e065
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:49]([O:50][C:51](=[O:52])[CH3:53])[CH3:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](-[c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[n:6][c:7]([CH3:9])[s:8]1.[Cl:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][O:25][c:26]1[cH:27][cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33]1.[I:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][O:40][c:41]1[cH:42][cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]1.[Na+:18].[OH-:17]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][O:25][c:26]3[cH:27][cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33]3)[cH:14][cH:15]2)[n:6][c:7]([CH3:9])[s:8]1