HRID114679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCCc1nc(C)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1F

HCID57460968

未命名化合物

结构：CC(C)(CO[Si](C)(C)C(C)(C)C)Oc1ccc(B(O)O)cc1

HCID67202554

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)c(-c2ccc(OC(C)(C)CO[Si](C)(C)C(C)(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1F

HCID59469390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da90e7bd1b1b4dda95010c0b018d05e2
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

[Br:1][c:2]1[c:3]([CH3:28])[n:4][c:5]([CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[c:11]([F:24])[cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:29]([CH3:30])([CH3:31])([CH3:32])[Si:33]([O:34][CH2:35][C:36]([O:37][c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1)([CH3:47])[CH3:48])([CH3:49])[CH3:50].[C:51](=[O:52])([O-:53])[O-:54].[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cs+:55].[Cs+:56]>>[c:2]1(-[c:41]2[cH:40][cH:39][c:38]([O:37][C:36]([CH2:35][O:34][Si:33]([C:29]([CH3:30])([CH3:31])[CH3:32])([CH3:49])[CH3:50])([CH3:47])[CH3:48])[cH:43][cH:42]2)[c:3]([CH3:28])[n:4][c:5]([CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[c:11]([F:24])[cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]