HRID1567268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID135

4-Hydroxybenzoic acid

C7H6O3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

结构：OC(c1ccc(CN2CCNCC2)cc1)(C(F)(F)F)C(F)(F)F

HCID86638566

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(O)cc1)N1CCN(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1

HCID86638568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3b6ba82e7054d9fbd8dcc487465ddab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:41]([P:42]([OH:43])(=[O:44])[OH:45])[CH2:46][CH3:47].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:48][CH2:49][Cl:50].[F:11][C:12]([C:13]([C:14]([F:15])([F:16])[F:17])([OH:18])[c:19]1[cH:20][cH:21][c:22]([CH2:25][N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:23][cH:24]1)([F:32])[F:33].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:9][cH:10]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:9][cH:10]1)[N:29]1[CH2:28][CH2:27][N:26]([CH2:25][c:22]2[cH:21][cH:20][c:19]([C:13]([C:12]([F:11])([F:32])[F:33])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:24][cH:23]2)[CH2:31][CH2:30]1