HRID162631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1csc(N2CC(C(C)(C)C)C2O[SiH](c2ccccc2)c2ccccc2)n1

HCID173183371

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2csc(N3CC(C(C)(C)C)C3O[SiH](c3ccccc3)c3ccccc3)n2)CC1

HCID173183401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5fe65260ebe4100b93a9825c6e26253
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:19][SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[N:7]([c:9]2[s:10][cH:11][c:12]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[n:13]2)[CH2:8]1.[CH3:33][Al:34]([CH3:35])[CH3:36].[CH3:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:19][SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[N:7]([c:9]2[s:10][cH:11][c:12]([C:14](=[O:15])[N:41]3[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]3)[n:13]2)[CH2:8]1