HRID92712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7013

N-Phenyl-1-naphthylamine

C16H13N

HCID7110

4,4'-dibromo-1,1'-Biphenyl

C12H8Br2

HCID27284

Fe +2 ion

Fe+2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：Brc1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1

HCID16755312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10c07d7ffef84ceeb08739008716f3ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([Br:14])[cH:12][cH:13]2)[cH:6][cH:7]1.[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Fe+2:90].[Na+:37].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45].[c:15]1([NH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:16][cH:17][cH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12.[cH:54]1[cH:55][cH:56][c:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c-:65]2[cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71]1.[cH:72]1[cH:73][cH:74][c:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c-:83]2[cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89]1>>[c:2]1([N:25]([c:15]2[cH:16][cH:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([Br:14])[cH:12][cH:13]2)[cH:6][cH:7]1