HRID1226965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID204484

Propylphosphonic acid

C3H9O3P

结构：O=C(O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID591169

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid

C10H6F6O3

HCID58055806

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CC1)Nc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1

HCID59175912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e71f8ef08bf4b249af1c511bcbf3d1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:49]([P:50]([OH:51])(=[O:52])[OH:53])[CH2:54][CH3:55].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH:1]1([CH2:4][NH:5][C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1.[Cl:56][CH2:57][Cl:58].[F:23][C:24]([C:25]([C:26]([F:27])([F:28])[F:29])([OH:30])[c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1)([F:40])[F:41].[Na+:65].[Na+:66].[O-:67][C:68](=[O:69])[O-:70]>>[CH:1]1([CH2:4][NH:5][C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]3[CH2:18][CH2:19][N:20]([C:35]([c:34]4[cH:33][cH:32][c:31]([C:25]([C:24]([F:23])([F:40])[F:41])([C:26]([F:27])([F:28])[F:29])[OH:30])[cH:39][cH:38]4)=[O:36])[CH2:21][CH2:22]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1