HRID301842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID5062348

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：[C-]#[N+]C(CC)(CCSc1cc(OC)c(OC)c(OC)c1)c1cccs1

HCID10691010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-214e2d89ab5647e2a7e294d20efedc99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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