HRID692475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7969

Benzenethiol

C6H6S

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)c4cncc(Br)c4)c3)ncnc21

HCID57477881

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)c4cncc(Sc5ccccc5)c4)c3)ncnc21

HCID57477895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28774bed72454f56a41c983e32193b89
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][c:4]([CH:8]([CH2:9][C:10]#[N:11])[n:12]2[n:13][cH:14][c:15](-[c:17]3[c:18]4[c:19]([n:20][cH:21][n:22]3)[n:23]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][cH:25]4)[cH:16]2)[cH:5][n:6][cH:7]1.[CH2:34]1[O:35][CH2:36][CH2:37][O:38][CH2:39]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[SH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:2]1([S:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:3][c:4]([CH:8]([CH2:9][C:10]#[N:11])[n:12]2[n:13][cH:14][c:15](-[c:17]3[c:18]4[c:19]([n:20][cH:21][n:22]3)[n:23]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][cH:25]4)[cH:16]2)[cH:5][n:6][cH:7]1