HRID1551902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID181428

FK 960

C13H16FN3O2

PRODUCTS

生成物

结构：CC(=O)N1CCN(N(Cc2ccccc2)C(=O)c2ccc(F)cc2)CC1

HCID21701689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8e25b73052c4bf4a4d9500993191485
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([NH:10][C:11]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)=[O:19])[CH2:8][CH2:9]1.[CH3:20][N:21]([CH3:22])[CH:23]=[O:24].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[H-:25].[Na+:26].[OH2:47]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([N:10]([C:11]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)=[O:19])[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:8][CH2:9]1