HRID2317162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID17806664

未命名化合物

HCID21093508

未命名化合物

PRODUCTS

生成物

结构：COCCC1CN(C2=Nc3ccccc3Nc3ccc(C)cc32)CCN1

HCID69212568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-419a08af255d4c369134282f00ee1723
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:19][O:20][CH2:21][CH2:22][CH:23]1[NH:24][CH2:25][CH2:26][NH:27][CH2:28]1.[CH3:2][c:3]1[cH:4][c:5]2[c:6]([cH:17][cH:18]1)[NH:7][c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[N:10]=[C:11]2[NH2:12].[CH3:38][S:39]([CH3:40])=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[ClH:1]>>[CH3:2][c:3]1[cH:4][c:5]2[c:6]([cH:17][cH:18]1)[NH:7][c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[N:10]=[C:11]2[N:12]1[CH2:26][CH2:25][NH:24][CH:23]([CH2:22][CH2:21][O:20][CH3:19])[CH2:28]1