HRID176617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID166653

Hydride

H-

HCID57356939

tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate

C13H17ClN2O3

PRODUCTS

生成物

结构：CC(C)Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2

HCID68429626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ad6a87c13e49209fff399cb5a42afe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH:1]([CH3:2])([CH3:3])[OH:4].[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:17]([n:18]1)[O:16][CH2:15][CH2:14][N:13]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:12]2.[H-:5].[Na+:6].[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[OH2:26].[Pd:34].[Pd:35]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:8]1[cH:9][cH:10][c:11]2[c:17]([n:18]1)[O:16][CH2:15][CH2:14][N:13]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:12]2