HRID86225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID2794719

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H15BClNO2

结构：COC(=O)C1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)CC1

HCID66738416

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(Cl)nc4)c3n2)CC1

HCID86664799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06cb6a035c1d47e9bce613e403604853
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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