HRID190061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID78490

1,4-Dichlorophthalazine

C8H4Cl2N2

HCID14987933

Ethyl 6-(piperazin-1-yl)pyridine-3-carboxylate

C12H17N3O2

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)nc1

HCID57471616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95e5f148c4e34c52a2cb7b65f9184ed5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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