HRID140814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(NC(=O)OC(C)(C)C)cc3s2)cn1

HCID86626544

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3)sc2c1

HCID86626545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bab1286461034dbc8539d66ec38e6b5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][c:11]1[cH:12][c:13]2[c:14]([n:15][c:16](-[c:18]3[cH:19][cH:20][c:21]([CH2:24][NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[n:22][cH:23]3)[s:17]2)[cH:33][cH:34]1.[CH3:35][I:36].[H-:2].[Na+:1].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]([c:11]1[cH:12][c:13]2[c:14]([n:15][c:16](-[c:18]3[cH:19][cH:20][c:21]([CH2:24][NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[n:22][cH:23]3)[s:17]2)[cH:33][cH:34]1)[CH3:35]