查数据/反应详情

HRID669077

反应详情

EQUATION

反应方程式

HRID 669077 的结构方程式

REACTANTS

反应物

3

结构：CCCCI

1-Iodobutane

C4H9I

结构：CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(Br)cn2[Si](C)(C)C(C)(C)C

未命名化合物

结构：[Li]C(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：CCCCc1cn([Si](C)(C)C(C)(C)C)c2ccc(O[Si](C)(C)C(C)(C)C)cc12

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6359723c0d5a43448c4cbe110b1cfa2c
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

[Br:1][c:2]1[cH:3][n:4]([Si:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[c:5]2[cH:6][cH:7][c:8]([O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[cH:9][c:10]12.[C:31]([Li:32])([CH3:33])([CH3:34])[CH3:35].[I:26][CH2:27][CH2:28][CH2:29][CH3:30]>>[c:2]1([CH2:27][CH2:28][CH2:29][CH3:30])[cH:3][n:4]([Si:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[c:5]2[cH:6][cH:7][c:8]([O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[cH:9][c:10]12

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