HRID142775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1

HCID3816953

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

C14H20BNO4

HCID5360545

Sodium

结构：COC(C)Cn1c(=O)n(C)c2cnc3ccc(Br)cc3c21

HCID77411051

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cncc(-c2ccc3ncc4c(c3c2)n(CC(C)OC)c(=O)n4C)c1

HCID77411026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00f2b441773d401cb74246a8a44637ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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