HRID114869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCBr

HCID22030700

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C(C)=O)CC1

HCID10195548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59b280d5114e4e2a92eef1229bb0714a
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:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([O:26][CH3:27])[cH:8][c:9]2[c:10]([O:16][c:17]3[cH:18][c:19]4[cH:20][cH:21][nH:22][c:23]4[cH:24][cH:25]3)[n:11][cH:12][n:13][c:14]2[cH:15]1.[C:28]([CH3:29])(=[O:30])[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47]>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[c:7]([O:26][CH3:27])[cH:8][c:9]2[c:10]([O:16][c:17]3[cH:18][c:19]4[cH:20][cH:21][nH:22][c:23]4[cH:24][cH:25]3)[n:11][cH:12][n:13][c:14]2[cH:15]1)[N:34]1[CH2:33][CH2:32][N:31]([C:28]([CH3:29])=[O:30])[CH2:36][CH2:35]1