HRID668635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

结构：c1ccc(CNCc2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)cc1

HCID178420358

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(Cc1ccccc1)Cc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1

HCID178444761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52eee0a237c1413891a5351551c76bcb
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

[Br-:33].[C:27](=[O:28])([O-:29])[O-:30].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][c:10]1[nH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][c:18](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[n:14]1.[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[K+:31].[K+:32].[OH2:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][c:10]1[nH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][c:18](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[n:14]1)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39]