HRID1234702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6324

Ethane

C2H6

HCID8857

Ethyl acetate

C4H8O2

HCID24648

Sulfuryl chloride

Cl2O2S

反应SMILES：C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CNC4)c3)ncnc21

HCID57868855

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)cn2)C1

HCID57868865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9b0165497d544764bb1900289b2b9f61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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