HRID1138067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID57853830

未命名化合物

HCID86633874

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc(C)c1Nc1nc(Nc2ccc3c(c2)C(C)(C)CCC(=O)N3)ncc1Cl

HCID53321286

2-[[5-Chloro-2-[(2,3,4,5-tetrahydro-5,5-dimethyl-2-oxo-1H-1-benzazepin-7-yl)amino]-4-pyrimidinyl]amino]-N,3-dimethylbenzamide

C25H27ClN6O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d63c579ef7f4cafbe1b61ca08c244ac
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

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