HRID316432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID769

Bicarbonate Ion

CHO3-

HCID795

Imidazole

C3H4N2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28928

Chloro(1,1-dimethylethyl)dimethylsilane

C6H15ClSi

结构：CC(CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2F)cc(C(=O)O)c1

HCID69186510

未命名化合物

PRODUCTS

生成物

结构：CC(CO[Si](C)(C)C(C)(C)C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2F)cc(C(=O)O)c1

HCID67273596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85fe87cd403d490e8fa6dab885bf3b12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:29]([CH3:30])([CH3:31])([CH3:32])[Si:33]([CH3:34])([CH3:35])[Cl:36].[C:42](=[O:43])([OH:44])[O-:45].[CH3:65][CH2:66][O:67][CH2:68][CH3:69].[N:1]1([C:5](=[O:6])[c:7]2[cH:8][c:9]([F:28])[c:10]([O:11][c:12]3[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([O:21][CH:22]([CH2:23][OH:24])[CH3:25])[cH:20]3)[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4]1.[Na+:46].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:70].[OH:47][C:48]([CH2:49][C:50]([C:51](=[O:52])[OH:53])([CH2:54][C:55](=[O:56])[OH:57])[OH:58])=[O:59].[nH:37]1[cH:38][cH:39][n:40][cH:41]1>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][c:9]([F:28])[c:10]([O:11][c:12]3[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([O:21][CH:22]([CH2:23][O:24][Si:33]([C:29]([CH3:30])([CH3:31])[CH3:32])([CH3:34])[CH3:35])[CH3:25])[cH:20]3)[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4]1