HRID120863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

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

C7H6N4O

HCID2974132

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

C14H19N3

HCID58532574

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CCOc3ccnc(N)c3)c3ccccc23)cc1

HCID58532536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d661db68e374a3bbb3a117ab89aa1ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:59][OH:60].[Cl:56][CH2:57][Cl:58].[NH2:30][c:31]1[cH:32][cH:33][c:34]([CH2:41][CH2:42][O:43][c:44]2[cH:45][c:46]([NH2:50])[n:47][cH:48][cH:49]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12>>[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:30][c:31]1[cH:32][cH:33][c:34]([CH2:41][CH2:42][O:43][c:44]2[cH:45][c:46]([NH2:50])[n:47][cH:48][cH:49]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12