HRID1114866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID2974132

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

C14H19N3

HCID58416757

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(N)c3)c3ccccc23)cc1

HCID58416753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4905229fbe684f579a15fe007ad9ef04
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:13]([CH3:14])([CH3:15])([CH3:16])[c:17]1[n:18][n:19](-[c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)[c:20]([NH2:22])[cH:21]1.[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[Cl:50][CH2:51][Cl:52].[NH2:30][c:31]1[n:32][cH:33][cH:34][c:35]([CH2:37][O:38][c:39]2[cH:40][cH:41][c:42]([NH2:49])[c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]23)[cH:36]1>>[C:1](=[O:2])([NH:22][c:20]1[n:19](-[c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)[n:18][c:17]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:21]1)[NH:49][c:42]1[cH:41][cH:40][c:39]([O:38][CH2:37][c:35]2[cH:34][cH:33][n:32][c:31]([NH2:30])[cH:36]2)[c:48]2[c:43]1[cH:44][cH:45][cH:46][cH:47]2