HRID683289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2782827

3,3-difluoropyrrolidine

C4H7F2N

HCID4574913

未命名化合物

HCID59403519

tert-Butyl 9-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

C14H18BrNO3

PRODUCTS

产物

HCID68578493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b797dadf3f0f4f5fb165f2e952af017c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[ClH:20].[F:21][C:22]1([F:27])[CH2:23][NH:24][CH2:25][CH2:26]1.[Na+:33].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[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.[OH2:34].[Pd:42].[Pd:43]>>[c:2]1([N:24]2[CH2:23][C:22]([F:21])([F:27])[CH2:26][CH2:25]2)[cH:3][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2