HRID120266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID21642

1-Bromopinacolone

C6H11BrO

HCID30165

Iodide ion

I-

结构：CC(C)(C)OC(=O)c1cccc(NC(=O)NC2CN(C3CCCCC3)c3ccccc3NC2=O)c1

HCID21202028

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1cccc(NC(=O)NC2CN(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

HCID21201700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c29f710a569941d6a08a4e827d44a684
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:52].[C:11](=[O:12])([O-:13])[O-:14].[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][Br:8].[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH3:70][S:71]([CH3:72])=[O:73].[I-:10].[K+:15].[K+:16].[K+:9].[O:17]=[C:18]1[CH:19]([NH:35][C:36](=[O:37])[NH:38][c:39]2[cH:40][c:41]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:42][cH:43][cH:44]2)[CH2:20][N:21]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:22]2[c:23]([cH:25][cH:26][cH:27][cH:28]2)[NH:24]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:24]1[C:18](=[O:17])[CH:19]([NH:35][C:36](=[O:37])[NH:38][c:39]2[cH:40][c:41]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:42][cH:43][cH:44]2)[CH2:20][N:21]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:22]2[c:23]1[cH:25][cH:26][cH:27][cH:28]2