HRID316737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID498716

未命名化合物

HCID546109

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C

HCID23388434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-150dcb556ec74ba6b87ac447323c4cd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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