HRID1131022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

2 次

HCID6342

Acetonitrile

C2H3N

2 次

HCID19660

Carbonate

CO3-2

HCID59264588

未命名化合物

结构：CC(C)CC(O)C(=O)N1CCN(c2cccc(Cl)c2)CC1

HCID68689983

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)CC(O)C(=O)N1CCN(c2cccc(-c3ccccc3C(F)F)c2)CC1

HCID68691561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb2d0696a8be4085bd151e8b4442e860
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:123][C:124]#[N:125].[CH3:126][C:127]#[N:128].[Cl:19][c:20]1[cH:21][c:22]([N:26]2[CH2:27][CH2:28][N:29]([C:32]([CH:33]([CH2:34][CH:35]([CH3:36])[CH3:37])[OH:38])=[O:39])[CH2:30][CH2:31]2)[cH:23][cH:24][cH:25]1.[F:1][CH:2]([c:3]1[c:4]([B:9]2[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]2)[cH:5][cH:6][cH:7][cH:8]1)[F:18].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[OH2:129].[OH2:130].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[F:1][CH:2]([c:3]1[c:4](-[c:20]2[cH:21][c:22]([N:26]3[CH2:27][CH2:28][N:29]([C:32]([CH:33]([CH2:34][CH:35]([CH3:36])[CH3:37])[OH:38])=[O:39])[CH2:30][CH2:31]3)[cH:23][cH:24][cH:25]2)[cH:5][cH:6][cH:7][cH:8]1)[F:18]