HRID1240872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID164656

1,4-Diaminobutan-2-ol

C4H12N2O

HCID5062348

未命名化合物

结构：CC1CC(Cc2ccc(-c3ccccc3)cc2)N(C(=O)C(C)(C)C)C1=O

HCID66739407

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)N1C(=O)C(C)(C)CC1Cc1ccc(-c2ccccc2)cc1

HCID66738904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd0ebdd2f0e24db69d0f4cd78eeb3ca5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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