HRID317122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734623

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C12H17BO3

结构：Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C(C)C)c(=O)c12

HCID58008881

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C(C)C)c(=O)c12

HCID58008984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06f81cea6dbf4f61b0ea7ec758f81adc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:63](=[O:64])([O-:65])[O-:66].[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][c:38]([OH:42])[cH:39][cH:40][cH:41]2)[O:43]1.[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][c:13]1[n:14]([CH:25]([CH3:26])[CH3:27])[c:15](=[O:24])[c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]1)[n:9][c:10]2[I:11].[Na+:67].[Na+:68].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[Pd+2:69].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][c:13]1[n:14]([CH:25]([CH3:26])[CH3:27])[c:15](=[O:24])[c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]1)[n:9][c:10]2-[c:36]1[cH:37][c:38]([OH:42])[cH:39][cH:40][cH:41]1