HRID100819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID2737701

5-Fluoropyridin-2(1H)-imine

C5H5FN2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1

HCID57504647

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC1CN(CC(O)C(=O)Nc2ccc(F)cn2)C1

HCID66813213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7435ad4ca8d54d7ebf39419ebf31e362
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:13]([CH3:14])([CH3:15])([CH3:16])[Si:17]([O:18][CH:19]1[CH2:20][N:21]([CH2:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[OH:29])[CH2:22]1)([CH3:30])[CH3:31].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[F:5][c:6]1[cH:7][cH:8][c:9]([NH2:12])[n:10][cH:11]1>>[F:5][c:6]1[cH:7][cH:8][c:9]([NH:12][C:25]([CH:24]([CH2:23][N:21]2[CH2:20][CH:19]([O:18][Si:17]([C:13]([CH3:14])([CH3:15])[CH3:16])([CH3:30])[CH3:31])[CH2:22]2)[OH:29])=[O:26])[n:10][cH:11]1