HRID1130215

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

HCID6344

Dichloromethane

CH2Cl2

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)N1CCc2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2C1

HCID59496690

1,1-Dimethylethyl 6-fluoro-3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate

C20H29BFNO4

PRODUCTS

生成物

结构：CN1CCN(c2cc(-c3cc4c(cc3F)CCN(C(=O)OC(C)(C)C)C4)nc(N)n2)CC1

HCID59496598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fff1f8cf434a49ca9ad4fcd342394887
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:59][OH:60].[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.[Cl:43][CH2:44][Cl:45].[F:16][c:17]1[cH:18][c:19]2[c:24]([cH:25][c:26]1[B:27]1[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]1)[CH2:23][N:22]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:21][CH2:20]2.[K+:50].[K+:51].[OH2:58]>>[c:2]1(-[c:26]2[c:17]([F:16])[cH:18][c:19]3[c:24]([cH:25]2)[CH2:23][N:22]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:21][CH2:20]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