HRID113650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID42647316

1,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C11H19BN2O2

结构：C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21

HCID57829612

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)cc1-c1cnc2c(n1)c(C=O)cn2COCC[Si](C)(C)C

HCID58438586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02d26e5d824d4a30a551a3cd66e354bd
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:19][c:20]1[n:21][c:22]2[c:23]([n:24][cH:25]1)[n:26]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[cH:27][c:28]2[CH:29]=[O:30].[CH3:1][n:2]1[n:3][c:4]([CH3:16])[c:5]([B:7]2[O:8][C:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15]2)[cH:6]1.[CH3:39][CH2:40][OH:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl-:18].[Li+:17].[OH2:48]>>[CH3:1][n:2]1[n:3][c:4]([CH3:16])[c:5](-[c:20]2[n:21][c:22]3[c:23]([n:24][cH:25]2)[n:26]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[cH:27][c:28]3[CH:29]=[O:30])[cH:6]1