HRID820559

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

HCID22347183

3-Iodo-1-(1-methyl-4-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C11H15IN6

PRODUCTS

生成物

结构：COc1cc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

HCID22347171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4590b7fcc0784475bf4de01d04480352
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:19][O:20][c:21]1[c:22]([NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[cH:23][cH:24][c:25]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:26]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[OH2:56]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[c:21]([O:20][CH3:19])[cH:26]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12