HRID1566355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11402789

tert-Butyl 7-amino-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

C15H22N2O2

结构：COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Cl)nc12

HCID67478949

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)nc12

HCID59612497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d58eeae30a745ddb3fb6c957aed98bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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