HRID2135779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCNC2)C1

HCID178521340

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(N2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)C2)cc1

HCID178498100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e66a0a22401456a9a3495849e7245a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:28][c:29]1[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:113][CH2:114][Cl:115].[Cs+:43].[Cs+:44].[N:1]1([CH:23]2[CH2:24][NH:25][CH2:26][CH2:27]2)[CH2:2][CH:3]([NH:6][C:7]([CH2:8][NH:9][C:10]([c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)=[O:21])=[O:22])[CH2:4][CH2:5]1.[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:57].[Pd:58]>>[N:1]1([CH:23]2[CH2:24][N:25]([c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]3)[CH2:26][CH2:27]2)[CH2:2][CH:3]([NH:6][C:7]([CH2:8][NH:9][C:10]([c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)=[O:21])=[O:22])[CH2:4][CH2:5]1