HRID1202254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC1=CC(C)(C)Nc2ccc(-c3ccccc3OS(=O)(=O)C(F)(F)F)c(CO)c21

HCID58485482

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：CC1=CC(C)(C)Nc2ccc(-c3ccccc3)c(CO)c21

HCID58026780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b5c80f809944073beeef7d21613f285
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH:37]([OH:38])=[O:39].[OH:1][CH2:2][c:3]1[c:4]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[c:14]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[cH:15][cH:16][cH:17][cH:18]1)[NH:8][C:7]([CH3:27])([CH3:28])[CH:6]=[C:5]2[CH3:29].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[OH:1][CH2:2][c:3]1[c:4]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[NH:8][C:7]([CH3:27])([CH3:28])[CH:6]=[C:5]2[CH3:29]