HRID1121883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID23938

Palladium

2 次

HCID30165

Iodide ion

I-

HCID95417

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

C17H14O

3 次

HCID25258834

2-Bromo-1,3-benzothiazole-6-carbonitrile

C8H3BrN2S

HCID178528067

未命名化合物

PRODUCTS

生成物

HCID66706772

2-(Cyclohexylmethyl)-6-benzothiazolecarbonitrile

C15H16N2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02ba6aa1bd7d4acab934e6a6f515ec41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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