HRID1549253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2773571

[4-(Pyrrolidine-1-carbonyl)phenyl]boronic acid

C11H14BNO3

HCID23115961

5-Bromo-2-[(1-cyclopentylpiperidin-4-yl)oxy]pyrimidine

C14H20BrN3O

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：O=C(c1ccc(-c2cnc(OC3CCN(C4CCCC4)CC3)nc2)cc1)N1CCCC1

HCID11166067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aca9089284ea4fe091f0ede6faa75f6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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