HRID297754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：CC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(Br)cnc1O2

HCID67240592

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：CC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3)cnc1O2

HCID67242239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c3ab8d25813463e9f41558a7be0ccaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:21][CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1.[C:41](=[O:42])([O-:43])[O-:44].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:125][CH2:126][O:127][C:128](=[O:129])[CH3:130].[K+:45].[K+:46].[OH2:124].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1.[n:27]1[cH:28][c:29]([B:33]([OH:34])[OH:35])[cH:30][cH:31][cH:32]1>>[c:2]1(-[c:29]2[cH:28][n:27][cH:32][cH:31][cH:30]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:21][CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1