HRID187511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID8028

Tetrahydrofuran

C4H8O

HCID10908

tert-Butyl acetate

C6H12O2

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID44248501

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(=O)c1cnc(NC(=O)C(C)(C)C)cn1

HCID68583518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd9852cfa36e42d29216c3c69519a8cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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