HRID1219139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID13086

Ameltolide

C15H16N2O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID316378

Di-tert-butylphenylphosphine

C14H23P

结构：Clc1nc2c(c(-c3ccccc3)n1)CCN(Cc1ccccc1)C2

HCID57663037

未命名化合物

HCID178476743

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc3c(c(-c4ccccc4)n2)CCN(Cc2ccccc2)C3)cc1

HCID57662921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b34147be06749a283ee2f64519cc802
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:43]([P:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)([CH3:55])([CH3:56])[CH3:57].[C:58](=[O:59])([O-:60])[O-:61].[C:70]([O:71][Pd:72][O:73][C:74](=[O:75])[CH3:76])(=[O:77])[CH3:78].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][c:12]([Cl:24])[n:13][c:14](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:15]2[CH2:16][CH2:17]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cs+:62].[Cs+:63].[NH2:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:32][c:33]2[c:34]([CH3:40])[cH:35][cH:36][cH:37][c:38]2[CH3:39])[cH:41][cH:42]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][c:12]([NH:25][c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:32][c:33]4[c:34]([CH3:40])[cH:35][cH:36][cH:37][c:38]4[CH3:39])[cH:41][cH:42]3)[n:13][c:14](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:15]2[CH2:16][CH2:17]1