HRID98783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID9255

Oxazole

C3H3NO

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

HCID178418339

Butyllithium

C4H9Li

结构：O=C1OC2(CCN(c3nc4cc(I)ccc4[nH]3)CC2)c2ccccc21

HCID178519032

未命名化合物

PRODUCTS

生成物

结构：O=C1OC2(CCN(c3nc4cc(-c5ncco5)ccc4[nH]3)CC2)c2ccccc21

HCID178519029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89d107b566ca413a8d6aaa1fa13e6adb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[CH3:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].[CH3:17][CH2:18][O:19][CH2:20][CH3:21].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl-:59].[Cl-:61].[I:22][c:23]1[cH:24][c:25]2[c:26]([nH:27][c:28]([N:30]3[CH2:31][CH2:32][C:33]4([O:34][C:35](=[O:42])[c:36]5[cH:37][cH:38][cH:39][cH:40][c:41]54)[CH2:43][CH2:44]3)[n:29]2)[cH:45][cH:46]1.[Pd:52].[Zn+2:60].[o:1]1[cH:2][n:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:23]2[cH:24][c:25]3[c:26]([nH:27][c:28]([N:30]4[CH2:31][CH2:32][C:33]5([O:34][C:35](=[O:42])[c:36]6[cH:37][cH:38][cH:39][cH:40][c:41]65)[CH2:43][CH2:44]4)[n:29]3)[cH:45][cH:46]2)[n:3][cH:4][cH:5]1