HRID212027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID12778934

3-Bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C6H6BrN5

结构：CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

HCID18451469

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate

C19H28BNO4

PRODUCTS

生成物

结构：Cn1nc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c2c(N)ncnc21

HCID66823718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-531d85e625f847719448b72408a6c12e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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