HRID2341125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID27099

Copper(2+)

Cu+2

HCID2734377

4-Phenoxyphenylboronic acid

C12H11BO3

结构：CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)c1

HCID86691210

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)[nH]c3c(N)ncnc32)c1

HCID86691212

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)c1

HCID86761988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbf661d42d3b439f8aaf4c8109eb8529
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:92]([O-:93])(=[O:94])[CH3:95].[C:97]([O-:98])(=[O:99])[CH3:100].[CH2:26]([N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[c:35]1[n:36][cH:37][n:38][c:39]2[c:40]1[nH:41][c:42](=[O:43])[n:44]2-[c:45]1[cH:46][c:47]([NH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cu+2:96].[NH2:1][c:2]1[c:3]2[nH:4][c:5](=[O:25])[n:6](-[c:11]3[cH:12][c:13]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:14][cH:15][cH:16]3)[c:7]2[n:8][cH:9][n:10]1.[O:65]([c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[c:72]1[cH:73][cH:74][c:75]([B:78]([OH:79])[OH:80])[cH:76][cH:77]1.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[cH:81]1[cH:82][cH:83][n:84][cH:85][cH:86]1>>[NH2:1][c:2]1[c:3]2[n:4](-[c:75]3[cH:74][cH:73][c:72]([O:65][c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[cH:77][cH:76]3)[c:5](=[O:25])[n:6](-[c:11]3[cH:12][c:13]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:14][cH:15][cH:16]3)[c:7]2[n:8][cH:9][n:10]1