HRID1225090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)N1CCN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CC1

HCID58043758

2(1H)-Pyridinone, 5-bromo-1-methyl-3-[[5-[4-(1-methylethyl)-1-piperazinyl]-2-pyridinyl]amino]-

C18H24BrN5O

结构：CC(=O)OCc1c(Br)cc(F)cc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O

HCID67016304

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(N4CCN(C(C)C)CC4)cn3)c(=O)n(C)c2)cc(F)cc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O

HCID86661250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bb5e5dade4e4279ab38d1a149a12e67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([CH:23]([CH3:24])[CH3:25])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:31]([CH3:32])(=[O:33])[O:34][CH2:35][c:36]1[c:37]([Br:58])[cH:38][c:39]([F:57])[cH:40][c:41]1[N:42]1[C:43](=[O:56])[c:44]2[cH:45][c:46]3[c:50]([n:51]2[CH2:52][CH2:53]1)[CH2:49][C:48]([CH3:54])([CH3:55])[CH2:47]3.[C:59](=[O:60])([O-:61])[O-:62].[CH2:142]1[O:143][CH2:144][CH2:145][O:146][CH2:147]1.[CH3:27][C:28](=[O:29])[O-:30].[K+:26].[Na+:63].[Na+:64].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[P:109]([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)[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)[cH:140][cH:141]1>>[c:2]1(-[c:37]2[c:36]([CH2:35][O:34][C:31]([CH3:32])=[O:33])[c:41]([N:42]3[C:43](=[O:56])[c:44]4[cH:45][c:46]5[c:50]([n:51]4[CH2:52][CH2:53]3)[CH2:49][C:48]([CH3:54])([CH3:55])[CH2:47]5)[cH:40][c:39]([F:57])[cH:38]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([CH:23]([CH3:24])[CH3:25])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1