HRID134024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID566367

Methyl 3-(thiophen-2-yl)propanoate

C8H10O2S

HCID19094261

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCCc1nc2cccc(C(O)C(Cc3cccs3)C(=O)OC)c2n1Cc1ccccc1Cl

HCID19094218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-481b57f39ebc4721bb056f38b0b32a07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:24]([CH2:25][CH2:26][CH3:27])[c:28]1[n:29][c:30]2[c:31]([n:32]1[CH2:33][c:34]1[c:35]([Cl:40])[cH:36][cH:37][cH:38][cH:39]1)[c:41]([CH:45]=[O:46])[cH:42][cH:43][cH:44]2.[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[s:13]1[c:14]([CH2:18][CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:15][cH:16][cH:17]1>>[s:13]1[c:14]([CH2:18][CH:19]([C:20](=[O:21])[O:22][CH3:23])[CH:45]([c:41]2[c:31]3[c:30]([n:29][c:28]([CH2:24][CH2:25][CH2:26][CH3:27])[n:32]3[CH2:33][c:34]3[c:35]([Cl:40])[cH:36][cH:37][cH:38][cH:39]3)[cH:44][cH:43][cH:42]2)[OH:46])[cH:15][cH:16][cH:17]1