HRID681199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID74499

Trimethylsulfoxonium

C3H9OS+

HCID166653

Hydride

H-

结构：COc1ccc2c(c1)C(=Cc1ccc3c(-c4ccc(N5CCOCC5)nc4)nn(COCC[Si](C)(C)C)c3c1)C(=O)N2

HCID66734146

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc(N5CCOCC5)nc4)nn(COCC[Si](C)(C)C)c3c1)C(=O)N2

HCID67955020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4170a48fd2ba478b8366537c9e8a227d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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