HRID1573574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(Br)ccc21

HCID59003154

Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-8-bromo-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

C25H25BrF6N2O3

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(N3CCOCC3)ccc21

HCID59003217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c9110e4c81b4b9498818335677a1b86
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

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