HRID120885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID345278

4-(Morpholin-4-yl)benzoic acid

C11H13NO3

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

HCID123775016

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CN(C(=O)c2ccc(N3CCOCC3)cc2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123251804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a09ad46445464caaac794f1c31933221
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33].[O:34]1[CH2:35][CH2:36][N:37]([c:40]2[cH:41][cH:42][c:43]([C:44](=[O:45])[OH:46])[cH:47][cH:48]2)[CH2:38][CH2:39]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:44]([c:43]3[cH:42][cH:41][c:40]([N:37]4[CH2:36][CH2:35][O:34][CH2:39][CH2:38]4)[cH:48][cH:47]3)=[O:45])[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]