HRID289719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(C)CCNc1nc(Cl)c2c(n1)N(c1c(F)cccc1F)C(=O)NC2

HCID11951693

未命名化合物

HCID59671639

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：Cc1c(F)cc(C(=O)OC(C)(C)C)cc1-c1nc(NCCN(C)C)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID57530525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3bc58a96cca4f3e82ab825fa9bc618a
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

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