HRID115125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CN1CCC(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CC1

HCID58043645

5-Bromo-1-methyl-3-[[5-(1-methyl-4-piperidinyl)-2-pyridinyl]amino]-2(1H)-pyridinone

C17H21BrN4O

结构：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cc(F)cc1N1CCn2c(cc3c2CCCC3)C1=O

HCID58044205

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(=O)OCc1c(-c2cc(Nc3ccc(C4CCN(C)CC4)cn3)c(=O)n(C)c2)cc(F)cc1N1CCn2c(cc3c2CCCC3)C1=O

HCID68096902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b378212029040b2aefbf5a8d7930789
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:24]([CH3:25])(=[O:26])[O:27][CH2:28][c:29]1[c:30]([B:50]2[O:51][C:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[O:58]2)[cH:31][c:32]([F:49])[cH:33][c:34]1[N:35]1[C:36](=[O:48])[c:37]2[n:38]([c:39]3[c:44]([cH:45]2)[CH2:43][CH2:42][CH2:41][CH2:40]3)[CH2:46][CH2:47]1.[C:59](=[O:60])([O-:61])[O-:62].[CH2:148]([Cl:149])[Cl:150].[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[Na+:63].[Na+:64].[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[c:2]1(-[c:30]2[c:29]([CH2:28][O:27][C:24]([CH3:25])=[O:26])[c:34]([N:35]3[C:36](=[O:48])[c:37]4[n:38]([c:39]5[c:44]([cH:45]4)[CH2:43][CH2:42][CH2:41][CH2:40]5)[CH2:46][CH2:47]3)[cH:33][c:32]([F:49])[cH:31]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1