HRID1131028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID12708668

Ethyl 4-(2-bromoethoxy)benzoate

C11H13BrO3

HCID15591368

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(OCCn2c(-c3cccnc3)c(C)c3ccccc32)cc1

HCID13362110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4c6178d295f48fd89bf3a881e178644
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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