HRID91582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID518888

2-Fluoro-5-(trifluoromethyl)phenol

C7H4F4O

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCC(O)c3ccc(F)cc3)CC2)c1

HCID22048674

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCC(Oc3cc(C(F)(F)F)ccc3F)c3ccc(F)cc3)CC2)c1

HCID22049312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-682cc45835d9488382f60d04a4b3d93b
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:45].[F:13][c:14]1[cH:15][cH:16][c:17]([CH:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]2[CH2:27][CH2:28][CH:29]([c:32]3[cH:33][c:34]([NH:38][C:39]([CH:40]([CH3:41])[CH3:42])=[O:43])[cH:35][cH:36][cH:37]3)[CH2:30][CH2:31]2)[OH:44])[cH:18][cH:19]1.[F:1][c:2]1[c:3]([OH:12])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1>>[F:1][c:2]1[c:3]([O:12][CH:20]([c:17]2[cH:16][cH:15][c:14]([F:13])[cH:19][cH:18]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]2[CH2:27][CH2:28][CH:29]([c:32]3[cH:33][c:34]([NH:38][C:39]([CH:40]([CH3:41])[CH3:42])=[O:43])[cH:35][cH:36][cH:37]3)[CH2:30][CH2:31]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1