HRID163601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

HCID287560

2-bromo-n,2-dimethylpropanamide

C5H10BrNO

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CCNCC3)cc1OCC2

HCID58204550

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(C)(C)N1CCC(c2ccc3c(c2)OCCn2cc(-c4ncnn4C(C)C)nc2-3)CC1

HCID71014697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c3720d0922f481e9cbb323897626630
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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