HRID90136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID53167

1-Methylpiperazine

C5H12N2

结构：O=C(Oc1ccccc1)OC1c2ccccc2C(=O)N1c1ccc2c(Cl)ccnc2n1

HCID21422074

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)OC2c3ccccc3C(=O)N2c2ccc3c(Cl)ccnc3n2)CC1

HCID21444385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab1d5d1f54044691be98856343ca0132
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

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