HRID151796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID68263

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

C7H6N4O

HCID81531

Diisopropylethylamine

C8H19N

HCID11542782

3-methylazetidin-3-ol

C4H9NO

HCID13401996

3-Methoxyazetidine

C4H9NO

HCID67330332

未命名化合物

PRODUCTS

生成物

结构：CC1(O)CN(C(=O)Nc2cnn3ccc(N4CCCC4c4cc(F)ccc4Cl)nc23)C1

HCID67329503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eefe73bd475472b8e6c8ba637e8c95d
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

[C:24](=[O:25])([n:26]1[cH:27][cH:28][n:29][cH:30]1)[n:31]1[cH:32][cH:33][n:34][cH:35]1.[CH3:37][C:38]1([OH:42])[CH2:39][NH:40][CH2:41]1.[CH3:43][O:44][CH:45]1[CH2:46][NH:47][CH2:48]1.[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][c:22]4[NH2:23])[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[Cl:58][CH2:59][Cl:60].[ClH:36]>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][c:22]4[NH:23][C:24](=[O:25])[N:40]3[CH2:39][C:38]([CH3:37])([OH:42])[CH2:41]3)[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1