HRID2337171

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

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID13280839

未命名化合物

HCID13476653

Ethyl 4-(2-chloroethoxy)benzoate

C11H13ClO3

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(OCCn2c(-n3ccnc3)c(C)c3ccccc32)cc1

HCID20268180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7417d681d094c29ae40c18ba4879bbb
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

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