HRID180290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID219302

Oxane-4-carboxylic acid

C6H10O3

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)C2CCOCC2)CC1c1ccc(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178485898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d219438db32a41c0aa624562459c9d75
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

[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].[O:35]1[CH2:36][CH2:37][CH:38]([C:41](=[O:42])[OH:43])[CH2:39][CH2:40]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:41]([CH:38]3[CH2:37][CH2:36][O:35][CH2:40][CH2:39]3)=[O:42])[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]