HRID1222709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C

HCID17750221

tert-Butyl [2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C18H28BNO5

HCID19597434

4-Chloro-7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

C11H11ClIN3

PRODUCTS

生成物

结构：COc1cc(-c2cn(C3CCCC3)c3ncnc(Cl)c23)ccc1NC(=O)OC(C)(C)C

HCID53777291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b94e1ba5d7214be4a7a9584b06fbc0df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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