HRID2329724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10969393

未命名化合物

HCID11287584

ethyl 6-chloro[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate

C8H7ClN4O2

PRODUCTS

生成物

结构：CCOC(=O)c1nnc2ccc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn12

HCID23000327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77861f0ac3dd44e4a9dfb566d8d6e3b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:25][c:26]1[cH:27][cH:28][c:29]2[n:30]([n:31]1)[c:32]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[n:33][n:34]2.[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH2:18])[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:26]3[cH:27][cH:28][c:29]4[n:30]([n:31]3)[c:32]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[n:33][n:34]4)[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1