HRID1124537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57416116

2-(7-Amino-8-methoxy-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethan-1-ol

C13H20N2O2

结构：CC(C)N1CCN(c2ccc(Nc3nc(Cl)ncc3Cl)c3c2CN(C)C3=O)CC1

HCID59849222

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(N4CCN(C(C)C)CC4)c4c3C(=O)N(C)C4)n1)CCN(CCO)CC2

HCID66830063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae74720978b940179efa5d90b13afe20
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

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