HRID2322793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID566605

Piperazine, 2-pyridylethyl-

C11H17N3

HCID4574913

未命名化合物

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID59636744

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(CCc3ccccn3)CC2)c2oc(C(=O)N(C)C)cc2c1

HCID59636711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50ed5c9fab0b44d2a316f27717ec8f36
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

[Br:1][c:2]1[cH:3][c:4]([O:16][CH3:17])[cH:5][c:6]2[cH:7][c:8]([C:11](=[O:12])[N:13]([CH3:14])[CH3:15])[o:9][c:10]12.[CH3:66][C:67]([CH3:68])([O-:69])[CH3:70].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH:32]1([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2-[c:46]2[c:47]([CH:48]([CH3:49])[CH3:50])[cH:51][c:52]([CH:53]([CH3:54])[CH3:55])[cH:56][c:57]2[CH:58]([CH3:59])[CH3:60])[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[Na+:71].[n:18]1[c:19]([CH2:24][CH2:25][N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:20][cH:21][cH:22][cH:23]1>>[c:2]1([N:29]2[CH2:28][CH2:27][N:26]([CH2:25][CH2:24][c:19]3[n:18][cH:23][cH:22][cH:21][cH:20]3)[CH2:31][CH2:30]2)[cH:3][c:4]([O:16][CH3:17])[cH:5][c:6]2[cH:7][c:8]([C:11](=[O:12])[N:13]([CH3:14])[CH3:15])[o:9][c:10]12