HRID89715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID23938

Palladium

结构：CN1C(=O)CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3NC3CCN(Cc4ccccc4)CC3)cc21

HCID66703828

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3NC3CCNCC3)cc21

HCID57867990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0f3c450f0c14476bae65f3b33aa20a2
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:44].[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[N:12]1[CH2:13][CH2:14][CH:15]([NH:18][c:19]2[c:20]([C:21](=[O:22])[NH:23][c:24]3[cH:25][cH:26][c:27]4[c:32]([cH:33]3)[N:31]([CH3:34])[C:30](=[O:35])[CH2:29][CH2:28]4)[cH:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]2)[CH2:16][CH2:17]1.[CH3:46][OH:47].[CH:1]([O-:2])=[O:3].[NH4+:4].[Pd:45]>>[NH:12]1[CH2:13][CH2:14][CH:15]([NH:18][c:19]2[c:20]([C:21](=[O:22])[NH:23][c:24]3[cH:25][cH:26][c:27]4[c:32]([cH:33]3)[N:31]([CH3:34])[C:30](=[O:35])[CH2:29][CH2:28]4)[cH:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]2)[CH2:16][CH2:17]1