HRID692492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID712441

4-(4-Acetylpiperazin-4-yl)phenol

C12H16N2O2

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(Oc3ncnc4c3cnn4C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

HCID53258360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d34ec62e74564dac81846c5b49ad98ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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