HRID179438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2779136

4,4-Difluorocyclohexanecarboxylic acid

C7H10F2O2

结构：CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(Br)cc(Br)c1

HCID77251854

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CN(C(=O)C2CCC(F)(F)CC2)CC1c1ccc(F)cc1)c1cc(Br)cc(Br)c1

HCID77251887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4efe60b476dc460ba575b41d21791fae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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