HRID2142283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：COC(CN(C(=O)CCOCCc1cccc(Br)c1)C1CCCCC1)OC

HCID59290480

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：COC(CN(C(=O)CCOCCc1cccc(-c2cnn(C)c2)c1)C1CCCCC1)OC

HCID59290438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7723055864024dfcb4900edc50d097a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][O:7][CH2:8][CH2:9][C:10](=[O:11])[N:12]([CH2:13][CH:14]([O:15][CH3:16])[O:17][CH3:18])[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:25][cH:26][cH:27]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:28][n:29]1[n:30][cH:31][c:32]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:33]1.[CH3:49][OH:50].[Cl:51][CH2:52][Cl:53].[K+:47].[K+:48].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:32]2[cH:31][n:30][n:29]([CH3:28])[cH:33]2)[cH:3][c:4]([CH2:5][CH2:6][O:7][CH2:8][CH2:9][C:10](=[O:11])[N:12]([CH2:13][CH:14]([O:15][CH3:16])[O:17][CH3:18])[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:25][cH:26][cH:27]1