HRID117545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)n1ccc2c(NC(=O)C3CCNCC3)ccnc21

HCID22393167

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ccc2c(NC(=O)C3CCN(Cc4ccccc4)CC3)ccnc21

HCID22393210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-391143b05b3e405c8cd8183bde00fb84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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