HRID94324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID22017356

1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethan-1-amine

C11H11F6N

HCID58907342

未命名化合物

PRODUCTS

生成物

结构：CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)C12CC1CN(Cc1ccccc1)C2c1ccccc1

HCID73002896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-516a28bc11594416b457abed365040ac
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

[C:48](=[O:49])([OH:50])[O-:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:10]2([C:14](=[O:15])[Cl:16])[CH2:11][CH:12]2[CH2:13]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[F:30][C:31]([c:32]1[cH:33][c:34]([CH:42]([CH3:43])[NH:44][CH3:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:46])[F:47].[Na+:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:10]2([C:14](=[O:15])[N:44]([CH:42]([c:34]3[cH:33][c:32]([C:31]([F:30])([F:46])[F:47])[cH:37][c:36]([C:38]([F:39])([F:40])[F:41])[cH:35]3)[CH3:43])[CH3:45])[CH2:11][CH:12]2[CH2:13]1