HRID1549389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID14268

4-Bromopyridine

C5H4BrN

HCID23938

Palladium

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3cc[nH]c3c2)CC1

HCID59781270

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3ccn(-c4ccncc4)c3c2)CC1

HCID58159626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c341732484384687b1596efcb843b38a
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:30][c:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1.[C:83].[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[ClH:29].[Na+:28].[Pd:84].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[c:54]2-[c:55]2[c:56]3[c:57]([cH:58][cH:59][cH:60][cH:61]3)[cH:62][cH:63][c:64]2[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)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([N:10]3[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]3)[cH:8][c:9]12>>[n:1]1(-[c:31]2[cH:32][cH:33][n:34][cH:35][cH:36]2)[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([N:10]3[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]3)[cH:8][c:9]12