HRID1537106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID22115576

4-Chloro-3-iodobenzamide

C7H5ClINO

HCID25129478

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：NC(=O)c1ccc(Cl)c(-c2ccc3c(N4CCOCC4)nncc3c2)c1

HCID68456728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45e79406299348d788c5a628e8329d0b
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

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1.[CH2:139]1[O:140][CH2:141][CH2:142][O:143][CH2:144]1.[CH3:136][CH2:137][OH:138].[CH3:19][C:20](=[O:21])[O-:22].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[O:40]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:41][c:42]1[c:43]([I:51])[cH:44][c:45]([C:46](=[O:47])[NH2:48])[cH:49][cH:50]1.[K+:18].[OH2:52].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:2]1(-[c:43]2[c:42]([Cl:41])[cH:50][cH:49][c:45]([C:46](=[O:47])[NH2:48])[cH:44]2)[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1