HRID1546301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7096

Phenylpiperazine

C10H14N2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID86639916

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)n1nc(CCCN2CCN(c3ccccc3)CC2)cc1-c1ccccc1

HCID25064641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-145d4105d94a4680a7358cd030cdbcfa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:16][CH2:17][CH:18]=[O:19])[cH:8][c:9]1-[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:42][CH2:43][Cl:44].[OH2:41].[c:20]1([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:16][CH2:17][CH2:18][N:29]2[CH2:28][CH2:27][N:26]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:31][CH2:30]2)[cH:8][c:9]1-[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1