HRID317844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6950379

未命名化合物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(Br)ccc21

HCID59003154

Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-8-bromo-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

C25H25BrF6N2O3

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(F)ccc21

HCID59003116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-892b30464adc4722a39c532aa3bea9e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:12]([CH3:13])(=[O:14])[N:15]([CH:16]1[c:17]2[c:18]([cH:29][c:30]([Br:33])[cH:31][cH:32]2)[N:19]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])[CH2:20][CH2:21][CH2:22]1)[CH2:34][c:35]1[cH:36][c:37]([C:45]([F:46])([F:47])[F:48])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1.[NH2:1][c:2]1[cH:3][c:4]([F:11])[cH:5][cH:6][c:7]1[C:8]([O-:9])=[O:10]>>[F:11][c:30]1[cH:29][c:18]2[c:17]([cH:32][cH:31]1)[CH:16]([N:15]([C:12]([CH3:13])=[O:14])[CH2:34][c:35]1[cH:36][c:37]([C:45]([F:46])([F:47])[F:48])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)[CH2:22][CH2:21][CH2:20][N:19]2[C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28]