HRID318045

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)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123283052

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)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123876134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-083bfd2c2f274c52b1fe5e406771fe80
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

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