HRID1223832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID3280088

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(N2CCSc3cc(Br)ccc32)C1

HCID59144137

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N2CCSc3cc(N)ccc32)C1

HCID59144157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b1f404d63d94cddae112ff1341de268
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

[Br:14][c:15]1[cH:16][cH:17][c:18]2[c:19]([cH:36]1)[S:20][CH2:21][CH2:22][N:23]2[CH:24]1[CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]1.[C:1]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])([CH3:11])([CH3:12])[CH3:13].[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:38][Si:39]([N-:42][Si:40]([CH3:41])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[F-:47].[Li+:37].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]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.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:70].[Pd:71]>>[c:15]1([NH2:42])[cH:16][cH:17][c:18]2[c:19]([cH:36]1)[S:20][CH2:21][CH2:22][N:23]2[CH:24]1[CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]1