HRID199756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID583772

3-Amino-6-(chloromethyl)pyrazinecarbonitrile

C6H5ClN4

结构：CC(C)(C)OC(=O)CCC(NC(=O)c1ccc(N)cc1)C(=O)OC(C)(C)C

HCID11025266

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCC(NC(=O)c1ccc(NCc2cnc(N)c(C#N)n2)cc1)C(=O)OC(C)(C)C

HCID178451035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fba2192a3b043b49326c4f816dc570d
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

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