HRID2315504

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

HCID2735951

4-amino-3-(trifluoromethoxy)benzoic Acid

C8H6F3NO3

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：Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1OC(F)(F)F

HCID59175861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04188050a7cf4803a7c25f6c9ecf6120
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:56](=[O:57])([O-:58])[OH:59].[CH2:46]([P:47]([OH:48])(=[O:49])[OH:50])[CH2:51][CH3:52].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:53][CH2:54][Cl:55].[F:16][C:17]([C:18]([C:19]([F:20])([F:21])[F:22])([OH:23])[c:24]1[cH:25][cH:26][c:27]([CH2:30][N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:28][cH:29]1)([F:37])[F:38].[NH2:1][c:2]1[c:3]([O:11][C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Na+:60]>>[NH2:1][c:2]1[c:3]([O:11][C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:6](=[O:8])[N:34]2[CH2:33][CH2:32][N:31]([CH2:30][c:27]3[cH:26][cH:25][c:24]([C:18]([C:17]([F:16])([F:37])[F:38])([C:19]([F:20])([F:21])[F:22])[OH:23])[cH:29][cH:28]3)[CH2:36][CH2:35]2)[cH:9][cH:10]1