HRID138555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID93575

N-(4-Bromobutyl)phthalimide

C12H12BrNO2

HCID2772144

3-(1-Piperazinyl)-1,2-benzisothiazole

C11H13N3S

PRODUCTS

生成物

结构：O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1

HCID10093606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac782222717445ff92b4ad44f579cbe8
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:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]1[C:22](=[O:31])[c:23]2[c:24]([cH:27][cH:28][cH:29][cH:30]2)[C:25]1=[O:26].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:17][CH2:18][CH2:19][CH2:20][N:21]3[C:22](=[O:31])[c:23]4[c:24]([cH:27][cH:28][cH:29][cH:30]4)[C:25]3=[O:26])[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2