HRID142953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

HCID9931094

2,2,2-Trichloroethyl [3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamate

C17H20Cl3N3O2

HCID67410393

2-[(1-Methyl-1H-indazol-5-yl)oxy]-3-pyridinemethanamine

C14H14N4O

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cccnc2Oc2ccc3c(cnn3C)c2)cc1

HCID42641872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90b7f19b7d41449d9068f8003e170098
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][n:2]1[n:3][cH:4][c:5]2[cH:6][c:7]([O:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]3[CH2:18][NH2:19])[cH:8][cH:9][c:10]12.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:20][C:21]([Cl:22])([Cl:42])[CH2:43][O:23][C:24]([NH:25][c:26]1[n:27](-[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[n:28][c:29]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:30]1)=[O:44].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][n:2]1[n:3][cH:4][c:5]2[cH:6][c:7]([O:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]3[CH2:18][NH:19][C:24](=[O:23])[NH:25][c:26]3[n:27](-[c:35]4[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]4)[n:28][c:29]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:30]3)[cH:8][cH:9][c:10]12