HRID1219269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID838363

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

C7H10N2O4S

HCID11745848

tert-Butyl (3-methylpyridin-2-yl)carbamate

C11H16N2O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1cc(OC)nc(Cc2cccnc2NC(=O)OC(C)(C)C)n1

HCID53782638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5400ea76ff6f4cb9bae29e168182fad9
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

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:21][O:22][c:23]1[n:24][c:25]([S:31]([CH3:32])(=[O:33])=[O:34])[n:26][c:27]([O:29][CH3:30])[cH:28]1.[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH3:6][c:7]1[c:8]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[n:9][cH:10][cH:11][cH:12]1.[Cl-:35].[NH4+:36].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH2:6]([c:7]1[c:8]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[n:9][cH:10][cH:11][cH:12]1)[c:25]1[n:24][c:23]([O:22][CH3:21])[cH:28][c:27]([O:29][CH3:30])[n:26]1