HRID2317767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7412

Benzoyl chloride

C7H5ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

反应SMILES：CN(C)CCc1c[nH]c2ccc(Nc3ncccc3N)cc12

HCID19040740

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)CCc1c[nH]c2ccc(Nc3ncccc3NC(=O)c3ccccc3)cc12

HCID19040745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4845e76c61fd46a9b6a3f0d291ae5773
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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