HRID101411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57416140

2-(7-Amino-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N,N-dimethylacetamide

C14H21N3O

HCID86633851

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccc3c(c2)CCN(CC(=O)N(C)C)CC3)ncc1Cl

HCID67263688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-058953e3b486459485d2162adc40701c
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

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