HRID1567808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID12544839

(4-Nitrophenyl)methyl oxoacetate

C9H7NO5

结构：CC(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)SC(=S)SC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C

HCID178457995

未命名化合物

PRODUCTS

生成物

结构：CC(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)SC(=S)SC1C(C(CO[SiH](C)C)C(C)(C)C)C(=O)N1C(O)C(=O)OCc1ccc([N+](=O)[O-])cc1

HCID178457994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c2fa0e9491548a18a45d5f9d0724189
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]([CH2:6][O:7][SiH:8]([CH3:9])[CH3:10])[CH:11]1[C:12](=[O:36])[NH:13][CH:14]1[S:15][C:16](=[S:17])[S:18][CH:19]([CH2:20][NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([N+:32](=[O:33])[O-:34])[cH:30][cH:31]1)[CH3:35].[C:38]([CH:39]=[O:40])(=[O:41])[O:42][CH2:43][c:44]1[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]1.[CH3:53][C:54](=[O:55])[CH3:56].[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[OH2:37].[cH:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]([CH2:6][O:7][SiH:8]([CH3:9])[CH3:10])[CH:11]1[C:12](=[O:36])[N:13]([CH:39]([C:38](=[O:41])[O:42][CH2:43][c:44]2[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]2)[OH:40])[CH:14]1[S:15][C:16](=[S:17])[S:18][CH:19]([CH2:20][NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([N+:32](=[O:33])[O-:34])[cH:30][cH:31]1)[CH3:35]