HRID310432

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+

HCID6344

Dichloromethane

CH2Cl2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID81531

Diisopropylethylamine

C8H19N

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID114942

Titanium(4+)

Ti+4

HCID904271

N-[(4-Bromophenyl)methylene]-4-fluorobenzenamine

C13H9BrFN

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(Br)cc1)c1ccc(F)cc1

HCID22252067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e260796746c24d1f9427ea3adff2f93b
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

[Br:34][c:35]1[cH:36][cH:37][c:38]([CH:39]=[N:40][c:41]2[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]2)[cH:48][cH:49]1.[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].[CH3:87][C:88](=[O:89])[OH:90].[Cl-:82].[Cl-:83].[Cl-:84].[Cl-:85].[Cl:79][CH2:80][Cl:81].[Na+:74].[OH:75][S:76](=[O:77])[O-:78].[Ti+4:86]>>[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:39]([c:38]1[cH:37][cH:36][c:35]([Br:34])[cH:49][cH:48]1)[NH:40][c:41]1[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33]