HRID100213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID1484519

4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C9H14ClN5

结构：CC(C)(C)OC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1

HCID53302321

tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

C20H30BNO4

PRODUCTS

生成物

结构：CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)nc(N)n2)CC1

HCID59496680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8569a21d7614a7e95dd2507f6f0f527
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

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