HRID1539661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID3723812

4-(Methoxymethyl)phenylboronic acid

C8H11BO3

HCID11150691

Tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

C13H19ClN4O2

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：COCc1ccc(-c2nccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID67367329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e82eb69f98d849ef9cae8bbe4633d2c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1.[C:21](=[O:22])([O-:23])[O-:24].[CH3:27][O:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:40][N:41]([CH3:42])[C:43](=[O:44])[CH3:45].[K+:25].[K+:26].[OH2:39].[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>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2-[c:33]2[cH:32][cH:31][c:30]([CH2:29][O:28][CH3:27])[cH:35][cH:34]2)[CH2:12][CH2:13]1