HRID201772

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

HCID19660

Carbonate

CO3-2

HCID81503

Bromomethylcyclopropane

C4H7Br

结构：CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(N)[nH]c(=O)n(Cc3ccccc3F)c2=O)cc1

HCID58762847

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(N)n(CC3CC3)c(=O)n(Cc3ccccc3F)c2=O)cc1

HCID58762834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e87b7f055b56454684cd5d6f462cb7f8
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

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