HRID1056474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69370

Benzene-1,2-dithiol

C6H6S2

结构：CC1=C(C)C(C)([Ti](Cl)(Cl)C2(Cc3ccc(C(=O)OC(C)(C)C)cc3)C=CC=C2)C(C)=C1C

HCID178425992

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(CC2(c3cccc([S-])c3[S-])C=CC=C2)cc1.CC(C)(C)OC(=O)c1ccc(CC2(c3cccc([S-])c3[S-])C=CC=C2)cc1.CC(C)(C)OC(=O)c1ccc(CC2(c3cccc([S-])c3[S-])C=CC=C2)cc1.CC1=C(C)C(C)([Ti+3])C(C)=C1C.CC1=C(C)C(C)([Ti+3])C(C)=C1C

HCID178450664

未命名化合物

PROCEDURE

实验过程

The reaction was performed as described in Example 1, step 4, starting from ({[4-(tert-butoxycarbonyl)phenyl]methyl}cyclopentadienyl)dichloro(pentamethylcyclopentadienyl)titanium; i.e. reaction of the alkylated titanocene dichloride with benzenedithiol.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48d002ccd20447f2bce46e7f3b4dda92
来源数据集: uspto-grants-2016_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09399077B2
来源说明: uspto-grants-2016_07

反应 SMILES

[C:1]([O:5][C:6]([C:8]1[CH:13]=[CH:12][C:11]([CH2:14][C:15]2([Ti:20](Cl)(Cl)[C:21]3([CH3:30])[C:25]([CH3:26])=[C:24]([CH3:27])[C:23]([CH3:28])=[C:22]3[CH3:29])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:10][CH:9]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:33]1([SH:40])[C:34]([SH:39])=[CH:35][CH:36]=[CH:37][CH:38]=1>>[CH3:26][C:25]1[C:21]([Ti+3:20])([CH3:30])[C:22]([CH3:29])=[C:23]([CH3:28])[C:24]=1[CH3:27].[C:1]([O:5][C:6]([C:8]1[CH:9]=[CH:10][C:11]([CH2:14][C:15]2([C:38]3[CH:37]=[CH:36][CH:35]=[C:34]([S-:39])[C:33]=3[S-:40])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:12][CH:13]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4].[C:1]([O:5][C:6]([C:8]1[CH:9]=[CH:10][C:11]([CH2:14][C:15]2([C:38]3[CH:37]=[CH:36][CH:35]=[C:34]([S-:39])[C:33]=3[S-:40])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:12][CH:13]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4].[C:1]([O:5][C:6]([C:8]1[CH:9]=[CH:10][C:11]([CH2:14][C:15]2([C:38]3[CH:37]=[CH:36][CH:35]=[C:34]([S-:39])[C:33]=3[S-:40])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:12][CH:13]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4].[CH3:26][C:25]1[C:21]([Ti+3:20])([CH3:30])[C:22]([CH3:29])=[C:23]([CH3:28])[C:24]=1[CH3:27]