HRID1152876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID18652

2,5-Dimethoxybenzylamine

C9H13NO2

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID11846460

4-amino-5-cyano-6-ethoxypicolinic acid

C9H9N3O3

PRODUCTS

生成物

结构：CCOc1nc(C(=O)NCc2cc(OC)ccc2OC)cc(N)c1C#N

HCID11846459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b281b596e1ab4328895583dbb365f248
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:35]([F:36])([F:37])([F:38])[F:39].[CH3:16][O:17][c:18]1[c:19]([CH2:20][NH2:21])[cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[NH2:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[OH:15])[n:5][c:6]([O:10][CH2:11][CH3:12])[c:7]1[C:8]#[N:9].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH2:1][c:2]1[cH:3][c:4]([C:13](=[O:15])[NH:21][CH2:20][c:19]2[c:18]([O:17][CH3:16])[cH:25][cH:24][c:23]([O:26][CH3:27])[cH:22]2)[n:5][c:6]([O:10][CH2:11][CH3:12])[c:7]1[C:8]#[N:9]