HRID1240710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID12947397

1-(1-Bromoethyl)-3,5-bis(trifluoromethyl)benzene

C10H7BrF6

HCID18922371

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCC(NC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1

HCID178498147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1db852dc23584fe5bc9d09c2440935ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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