HRID90787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID1140

Toluene

C7H8

HCID6386

tert-Butyl alcohol

C4H10O

结构：CCCC(=CC#N)c1ncc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)s1

HCID66597117

未命名化合物

PRODUCTS

生成物

HCID57477625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dea315b53af941398fb2b9ff96734777
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:34]([OH:35])([CH3:36])([CH3:37])[CH3:38].[CH3:1][C:2](=[O:3])[O-:4].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:5][Si:6]([CH2:7][CH2:8][O:9][CH2:10][n:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][n:18][c:19]2-[c:20]1[cH:21][n:22][c:23]([C:25](=[CH:26][C:27]#[N:28])[CH2:29][CH2:30][CH3:31])[s:24]1)([CH3:32])[CH3:33]>>[CH3:5][Si:6]([CH2:7][CH2:8][O:9][CH2:10][n:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][n:18][c:19]2-[c:20]1[cH:21][n:22][c:23]([CH:25]([CH2:26][C:27]#[N:28])[CH2:29][CH2:30][CH3:31])[s:24]1)([CH3:32])[CH3:33]