HRID820754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9005

Trimethoxymethane

C4H10O3

HCID69861

4-tert-Butylaniline

C10H15N

HCID498716

未命名化合物

HCID22501787

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NCc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1

HCID22501763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-702ea7001d244e5aa0c612161e4eb5d0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][cH:23][c:24]([NH2:25])[cH:26][cH:27]1.[C:32]([BH3-:33])#[N:34].[CH3:28][C:29](=[O:30])[OH:31].[CH3:41][O:42][CH:43]([O:44][CH3:45])[O:46][CH3:47].[CH3:48][OH:49].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[n:11][n:12][nH:13][n:14]2)[cH:15][cH:16]1.[Na+:35].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[n:11][n:12][nH:13][n:14]2)[cH:15][cH:16]1)[NH:25][c:24]1[cH:23][cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:27][cH:26]1