HRID1125221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15661146

Ethyl (6-chloropyridin-3-yl)acetate

C9H10ClNO2

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C)CC

HCID67065087

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：CCOC(=O)Cc1ccc(-c2c(C)cc(C(CC)(CC)c3ccc(C=CC(O)(CC)CC)c(C)c3)cc2C)nc1

HCID67065192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d7e857a40e4470bb0b116c58891130c
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

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][c:9]([Cl:12])[cH:10][cH:11]1)=[O:13].[CH3:22][c:23]1[cH:24][c:25]([C:39]([CH2:40][CH3:41])([CH2:42][CH3:43])[c:44]2[cH:45][c:46]([CH3:58])[c:47]([CH:50]=[CH:51][C:52]([CH2:53][CH3:54])([OH:55])[CH2:56][CH3:57])[cH:48][cH:49]2)[cH:26][c:27]([CH3:38])[c:28]1[B:29]1[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[K+:19].[K+:20].[K+:21].[P:14]([O-:15])([O-:16])([O-:17])=[O:18].[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([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)[P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][c:9](-[c:28]2[c:23]([CH3:22])[cH:24][c:25]([C:39]([CH2:40][CH3:41])([CH2:42][CH3:43])[c:44]3[cH:45][c:46]([CH3:58])[c:47]([CH:50]=[CH:51][C:52]([CH2:53][CH3:54])([OH:55])[CH2:56][CH3:57])[cH:48][cH:49]3)[cH:26][c:27]2[CH3:38])[cH:10][cH:11]1)=[O:13]