HRID938404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID521099

3,5-Bis(trifluoromethyl)benzylamine

C9H7F6N

HCID57486817

2-[4-(Cyclohexylmethyl)piperazin-1-yl]quinoline-3-carbaldehyde

C21H27N3O

PRODUCTS

生成物

结构：FC(F)(F)c1cc(CNCc2cc3ccccc3nc2N2CCN(CC3CCCCC3)CC2)cc(C(F)(F)F)c1

HCID57486818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fffa3da7c51d464d8cf6f68e1894b20d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:46]([BH3-:47])#[N:48].[CH3:42][C:43](=[O:44])[OH:45].[CH3:50][OH:51].[CH:17]1([CH2:23][N:24]2[CH2:25][CH2:26][N:27]([c:30]3[n:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]4[cH:38][c:39]3[CH:40]=[O:41])[CH2:28][CH2:29]2)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH2:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16].[Na+:49]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH2:40][c:39]2[c:30]([N:27]3[CH2:26][CH2:25][N:24]([CH2:23][CH:17]4[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]4)[CH2:29][CH2:28]3)[n:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[cH:38]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16]