HRID292694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8071

未命名化合物

HCID18196

1,1,4,7,7-Pentamethyldiethylenetriamine

C9H23N3

HCID70211

Acetic acid, oxo-, ethyl ester

C4H6O3

结构：CC(C)(C)[Si](Oc1ccc(F)cc1F)(c1ccccc1)c1ccccc1

HCID21904942

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(O)c1c(F)ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1F

HCID69290212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-583dcf4dcbe54cee9514ef7e03fcc893
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:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][c:19]1[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]1.[CH2:44]([CH3:45])[O:46][C:47]([CH:48]=[O:49])=[O:50].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][N:32]([CH3:33])[CH2:34][CH2:35][N:36]([CH3:37])[CH3:38].[CH3:39][CH2:40][CH2:41][CH2:42][Li:43].[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[ClH:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][c:19]1[c:20]([F:26])[c:21]([CH:48]([C:47]([O:46][CH2:44][CH3:45])=[O:50])[OH:49])[c:22]([F:25])[cH:23][cH:24]1