HRID1138722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID11139395

3-tert-Butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine

C14H19N3O

HCID86638622

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2nccc3cc(Oc4cc(Cl)ncn4)ccc23)cc1

HCID86638621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-649f7d21025e4c08ac372e09497fe57d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][c:34]([NH2:45])[n:35](-[c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[n:36]1.[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][n:14][c:15]([C:19](=[O:20])[Cl:21])[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1.[Cl:47][CH2:48][Cl:49].[OH2:46].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][n:14][c:15]([C:19](=[O:20])[NH:45][c:34]4[cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[n:36][n:35]4-[c:37]4[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]4)[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1