HRID686333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7858

Allyl alcohol

C3H6O

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

结构：COC(=O)C(c1ccc([N+](=O)[O-])cc1F)c1ccc(C(=O)c2ccc(C)cc2C)n1C

HCID23285816

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)C(c1ccc([N+](=O)[O-])cc1F)c1ccc(C(=O)c2ccc(C)cc2C)n1C

HCID23285845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb9f78fc4b504e7a8851863394f67c5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([CH:12]([C:13](=[O:14])[O:15][CH3:16])[c:17]3[c:18]([F:26])[cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]3)[n:10]2[CH3:11])[cH:27][cH:28][c:29]([CH3:31])[cH:30]1.[CH3:36][CH:37]([CH3:38])[O-:39].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:48][CH:49]([CH3:50])[O-:51].[OH:32][CH2:33][CH:34]=[CH2:35].[Ti+4:52]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([CH:12]([C:13](=[O:14])[O:15][CH2:16][CH:33]=[CH2:34])[c:17]3[c:18]([F:26])[cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]3)[n:10]2[CH3:11])[cH:27][cH:28][c:29]([CH3:31])[cH:30]1