HRID159795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID312

Chloride

Cl-

2 次

HCID813

Potassium cation

K+

HCID888

Magnesium cation

Mg+2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID3595298

未命名化合物

结构：Cc1c(F)c(C(=O)O)cc(F)c1N1CC(C)C(NC(=O)OC(C)(C)C)C1

HCID91496779

未命名化合物

PRODUCTS

生成物

HCID5462224

Magnesium

结构：CCOC(=O)CC(=O)c1cc(F)c(N2CC(C)C(NC(=O)OC(C)(C)C)C2)c(C)c1F

HCID178472174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6686b91dea549d0973b8291e195a0a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][CH:21]1[CH2:22][N:23]([c:27]2[c:28]([CH3:38])[c:29]([F:37])[c:30]([C:31](=[O:32])[OH:33])[cH:34][c:35]2[F:36])[CH2:24][CH:25]1[CH3:26].[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[C:39]([CH2:40][C:41]([O-:42])=[O:43])(=[O:44])[O:45][CH2:46][CH3:47].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Cl-:49].[Cl-:51].[K+:48].[Mg+2:50].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[OH:59][C:60]([CH2:61][C:62]([C:63](=[O:64])[OH:65])([CH2:66][C:67](=[O:68])[OH:69])[OH:70])=[O:71]>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][CH:21]1[CH2:22][N:23]([c:27]2[c:28]([CH3:38])[c:29]([F:37])[c:30]([C:31](=[O:33])[CH2:40][C:39](=[O:44])[O:45][CH2:46][CH3:47])[cH:34][c:35]2[F:36])[CH2:24][CH:25]1[CH3:26].[Mg:50]