HRID956216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID288057

4-Amino-3-methoxybenzoic acid

C8H9NO3

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：COc1cc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)ccc1N

HCID59175906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c1dc2f1ac224206b76dfbbf1bae3932
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:53](=[O:54])([O-:55])[OH:56].[CH2:43]([P:44]([OH:45])(=[O:46])[OH:47])[CH2:48][CH3:49].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:50][CH2:51][Cl:52].[F:13][C:14]([C:15]([C:16]([F:17])([F:18])[F:19])([OH:20])[c:21]1[cH:22][cH:23][c:24]([CH2:27][N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:25][cH:26]1)([F:34])[F:35].[NH2:1][c:2]1[c:3]([O:11][CH3:12])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Na+:57]>>[NH2:1][c:2]1[c:3]([O:11][CH3:12])[cH:4][c:5]([C:6](=[O:8])[N:31]2[CH2:30][CH2:29][N:28]([CH2:27][c:24]3[cH:23][cH:22][c:21]([C:15]([C:14]([F:13])([F:34])[F:35])([C:16]([F:17])([F:18])[F:19])[OH:20])[cH:26][cH:25]3)[CH2:33][CH2:32]2)[cH:9][cH:10]1