HRID1113697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID53440592

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C11H17BN2O3

HCID66906121

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2ccc3nc(N4CCC(N5CCCCC5)C4)sc3c2)cn1

HCID66905555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3ddd428d3b148e58d9c314d523f1304
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]4)[CH2:12][CH2:13]3)[s:8]2)[cH:20][cH:21]1.[CH2:45]([OH:46])[CH3:47].[CH3:22][O:23][c:24]1[n:25][cH:26][c:27]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:28][n:29]1.[Cl:54][CH2:55][Cl:56].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[Pd:57]([Cl:58])[Cl:59].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[c:2]1(-[c:27]2[cH:26][n:25][c:24]([O:23][CH3:22])[n:29][cH:28]2)[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]4)[CH2:12][CH2:13]3)[s:8]2)[cH:20][cH:21]1