HRID2343041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)OC1(C)C

HCID58222530

6-(Phenylmethoxy)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyridinamine

C24H27BN2O3

结构：CC1COCCN1c1nc(Cl)nc2c1CCN(C(=O)OC(C)(C)C)C2

HCID72241098

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：CC1COCCN1c1nc(-c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)nc2c1CCN(C(=O)OC(C)(C)C)C2

HCID67175861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa0bf77488de4e0dbd31de49bd4da1cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:56](=[O:57])([O-:58])[O-:59].[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O:33][c:34]1[cH:35][cH:36][cH:37][c:38]([NH:40][c:41]2[cH:42][cH:43][c:44]([B:47]3[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]3)[cH:45][cH:46]2)[n:39]1.[CH3:145][C:146]#[N:147].[CH3:63][C:64](=[O:65])[O-:66].[Cl:1][c:2]1[n:3][c:4]([N:19]2[CH:20]([CH3:25])[CH2:21][O:22][CH2:23][CH2:24]2)[c:5]2[c:6]([n:7]1)[CH2:8][N:9]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:10][CH2:11]2.[K+:60].[K+:61].[K+:62].[OH2:144].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([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)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([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)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[c:2]1(-[c:44]2[cH:43][cH:42][c:41]([NH:40][c:38]3[cH:37][cH:36][cH:35][c:34]([O:33][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:39]3)[cH:46][cH:45]2)[n:3][c:4]([N:19]2[CH:20]([CH3:25])[CH2:21][O:22][CH2:23][CH2:24]2)[c:5]2[c:6]([n:7]1)[CH2:8][N:9]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:10][CH2:11]2