HRID313823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID16028

Tetrabutylammonium

C16H36N+

HCID12941006

6-Phenoxypyridine-2-carbaldehyde

C12H9NO2

HCID54156496

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C=C(Cl)c2ccc(Cl)cc2)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)n1

HCID178425071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-736c13f9ad4e4682ad3f9aaa3163cf83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:45].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:46][CH2:47][CH2:48][CH2:49][N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:24](=[O:25])[c:26]1[n:27][c:28]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30][cH:31]1.[Cl-:1].[Cl:2][C:3](=[CH:4][CH:5]1[C:6]([CH3:11])([CH3:12])[CH:7]1[C:8](=[O:9])[OH:10])[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1.[Na:20][C:21]#[N:22].[OH2:23]>>[Cl:2][C:3](=[CH:4][CH:5]1[C:6]([CH3:11])([CH3:12])[CH:7]1[C:8](=[O:9])[O:10][CH:24]([C:21]#[N:22])[c:26]1[n:27][c:28]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30][cH:31]1)[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1