HRID1115408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID11167

Methyl isothiocyanate

C2H3NS

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID10469982

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CNC(=S)Nc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1

HCID15676068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2380bec761a4e1ea455181768740702
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

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