HRID1227676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：COc1ccc(NC(=O)c2ccc3nc(Br)sc3c2)cc1OC

HCID67236223

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3c2)cc1OC

HCID67235904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3349a095ea53446eac710246b3381ccd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]1)[cH:10]2.[C:24](=[O:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[OH2:53]>>[c:2]1([N:34]2[CH2:33][CH2:32][N:31]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:36][CH2:35]2)[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]1)[cH:10]2