HRID154033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID4574913

未命名化合物

结构：COc1ccc(-n2nc(Br)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1

HCID10117512

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2ncc3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1

HCID10273395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b581f4d98f84b898c72e99b60370417
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[n:3][n:4](-[c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:5]2[c:10]1[CH2:9][CH2:8][N:7]([c:11]1[cH:12][cH:13][c:14]([N:17]3[C:18](=[O:23])[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:15][cH:16]1)[C:6]2=[O:24].[CH3:33][NH:34][CH3:35].[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[N:62]([CH3:63])[CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Na+:41].[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[c:76]1([CH3:77])[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[cH:2]1[n:3][n:4](-[c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:5]2[c:10]1[CH2:9][CH2:8][N:7]([c:11]1[cH:12][cH:13][c:14]([N:17]3[C:18](=[O:23])[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:15][cH:16]1)[C:6]2=[O:24]