HRID2324540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

2 次

HCID21186805

B-2,1,3-Benzoxadiazol-4-ylboronic acid

C6H5BN2O3

HCID23284646

4-(8-Bromo-1,7-naphthyridin-6-yl)benzoic acid

C15H9BrN2O2

PRODUCTS

生成物

结构：O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc4nonc34)n2)cc1

HCID23284638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2a6b43094a649c88c36f6524912be94
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:1](=[O:2])([OH:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][n:16][c:17]3[c:18]([Br:20])[n:19]2)[cH:8][cH:9]1.[C:55](=[O:56])([O-:57])[O-:58].[CH:67](=[CH:68][C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)=[O:78])[c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH:85](=[CH:86][C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)=[O:96])[c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Na+:59].[Na+:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[Pd:66].[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][c:39]1[P:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][c:53]1[CH3:54].[n:21]1[o:22][n:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[B:30]([OH:31])[OH:32]>>[C:1](=[O:2])([OH:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][n:16][c:17]3[c:18](-[c:29]3[c:24]4[n:23][o:22][n:21][c:25]4[cH:26][cH:27][cH:28]3)[n:19]2)[cH:8][cH:9]1