HRID1557372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

HCID80378

2,6-Dimethoxypyridine

C7H9NO2

反应SMILES：CC(C)(C)OC(=O)N1CCC(=C(Br)c2ccccc2)CC1

HCID59034585

未命名化合物

HCID178418339

Butyllithium

C4H9Li

反应SMILES：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2)c(OC)n1

HCID67046436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7d21acc7a624426dacf4b11b05c989e9
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

[Br-:42].[Br-:44].[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]1[CH2:24][CH2:25][C:26](=[C:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[Br:36])[CH2:27][CH2:28]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:11][CH2:12][CH2:13][CH2:14][Li:15].[CH3:1][O:2][c:3]1[n:4][c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[Zn+2:43].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[CH3:1][O:2][c:3]1[n:4][c:5]([O:9][CH3:10])[cH:6][cH:7][c:8]1[C:29](=[C:26]1[CH2:25][CH2:24][N:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH2:28][CH2:27]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1