HRID1545975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

4 次

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID923

Sodium ion

Na+

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID81531

Diisopropylethylamine

C8H19N

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID114942

Titanium(4+)

Ti+4

HCID720254

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC(CCCC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1

HCID12111618

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CCC(C(=O)N1C(=O)OCC1c1ccccc1)C(Nc1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1

HCID22252047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb05e107685d4bb7b5fd006e8447e669
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[N:13]1[C:14](=[O:24])[O:15][CH2:16][CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33].[C:64]([OH:65])(=[O:66])[CH:67]([CH:68]([C:69]([OH:70])=[O:71])[OH:72])[OH:73].[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH3:59][Si:60]([Cl:61])([CH3:62])[CH3:63].[CH3:84][C:85](=[O:86])[OH:87].[Cl-:79].[Cl-:80].[Cl-:81].[Cl-:82].[F:34][c:35]1[cH:36][cH:37][c:38]([N:41]=[CH:42][c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)[cH:39][cH:40]1.[Na+:74].[OH:75][S:76](=[O:77])[O-:78].[Ti+4:83]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH:10]([C:11](=[O:12])[N:13]1[C:14](=[O:24])[O:15][CH2:16][CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:42]([NH:41][c:38]1[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]1)[c:43]1[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33]