HRID2339984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)c1c(Br)c2cc(C(=O)O)ccc2n1CC(C)C

HCID17816517

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

HCID17816514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-131f1934ecc34327916b44bb3ae84d37
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

[Br:1][c:2]1[c:3]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:4]([CH2:14][CH:15]([CH3:16])[CH3:17])[c:5]2[cH:6][cH:7][c:8]([C:11](=[O:12])[OH:13])[cH:9][c:10]12.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH:23]([OH:24])=[O:25].[OH2:121].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[cH:2]1[c:3]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:4]([CH2:14][CH:15]([CH3:16])[CH3:17])[c:5]2[cH:6][cH:7][c:8]([C:11](=[O:12])[OH:13])[cH:9][c:10]12