HRID152262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID2758015

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H17BO2

结构：Cc1nc(-c2cn3c(n2)-c2ccc(Br)cc2OCC3)n(C(C)CO)n1

HCID67050760

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cn3c(n2)-c2ccc(C4CC4)cc2OCC3)n(C(C)CO)n1

HCID58204768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33c52cb1467f4b7492db941ef18a8b3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:24][cH:25]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15][c:16]([CH3:23])[n:17][n:18]3[CH:19]([CH2:20][OH:21])[CH3:22])[cH:9][n:10]1[CH2:11][CH2:12][O:13]2.[CH2:52]([Cl:53])[Cl:54].[CH:34]1([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[CH2:35][CH2:36]1.[K+:31].[K+:32].[K+:33].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51].[P:26]([O-:27])([O-:28])([O-:29])=[O:30].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1([CH:34]2[CH2:35][CH2:36]2)[cH:3][c:4]2[c:5]([cH:24][cH:25]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15][c:16]([CH3:23])[n:17][n:18]3[CH:19]([CH2:20][OH:21])[CH3:22])[cH:9][n:10]1[CH2:11][CH2:12][O:13]2