HRID96487

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

HCID166653

Hydride

H-

HCID2778135

4-Fluoro-3-methylbenzyl bromide

C8H8BrF

结构：COC(=O)C(OC(C)(C)C)c1c(C)nc2[nH]ccc2c1-c1ccc(C)cc1

HCID71209083

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(OC(C)(C)C)c1c(C)nc2c(ccn2Cc2ccc(F)c(C)c2)c1-c1ccc(C)cc1

HCID71209209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7230fcb1e234ab6bdcc5e261cc5e563
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:30][CH2:31][c:32]1[cH:33][c:34]([CH3:39])[c:35]([F:38])[cH:36][cH:37]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH:6]([C:7](=[O:8])[O:9][CH3:10])[c:11]1[c:12](-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[c:13]2[c:14]([n:15][c:16]1[CH3:17])[nH:18][cH:19][cH:20]2.[H-:28].[Na+:29].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH:6]([C:7](=[O:8])[O:9][CH3:10])[c:11]1[c:12](-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[c:13]2[c:14]([n:15][c:16]1[CH3:17])[n:18]([CH2:31][c:32]1[cH:33][c:34]([CH3:39])[c:35]([F:38])[cH:36][cH:37]1)[cH:19][cH:20]2