HRID311257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID241

Benzene

C6H6

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

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：CC(C)(C)C1CN(c2nc(C(=O)N3CCCCC3)cs2)C1O[SiH](c1ccccc1)c1ccccc1

HCID173183409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e31c51a1534042bb8ccc1c37619edf11
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])[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:16][CH2:15][CH3:17])=[O:18])[n:13]2)[CH2:8]1.[CH3:33][Al:34]([CH3:35])[CH3:36].[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[NH:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]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:16])[N:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[n:13]2)[CH2:8]1