HRID174119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID93915

1-(4-Fluorophenyl)-1,3,8-triazaspiro(4,5)decan-4-one

C13H16FN3O

HCID2724942

未命名化合物

结构：CC(C)(C)[SiH2]OC(C)(C)c1cccc2cccc(C=O)c12

HCID137328531

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[SiH2]OC(C)(C)c1cccc2cccc(CN3CCC4(CC3)C(=O)NCN4c3ccc(F)cc3)c12

HCID137328533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8297584f0e2248ad8311935e71d0d126
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:19]([CH3:20])([CH3:21])([CH3:22])[SiH2:23][O:24][C:25]([c:26]1[cH:27][cH:28][cH:29][c:30]2[cH:31][cH:32][cH:33][c:34]([CH:36]=[O:37])[c:35]12)([CH3:38])[CH3:39].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:40][C:41](=[O:42])[OH:43].[Cl:58][CH2:59][CH2:60][Cl:61].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][NH:10][C:11](=[O:18])[C:12]23[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:6][cH:7]1.[Na+:57]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][NH:10][C:11](=[O:18])[C:12]23[CH2:13][CH2:14][N:15]([CH2:36][c:34]2[cH:33][cH:32][cH:31][c:30]4[cH:29][cH:28][cH:27][c:26]([C:25]([O:24][SiH2:23][C:19]([CH3:20])([CH3:21])[CH3:22])([CH3:38])[CH3:39])[c:35]42)[CH2:16][CH2:17]3)[cH:6][cH:7]1