HRID668945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID166653

Hydride

H-

HCID3146743

3-Phenylpyrrolidine

C10H13N

结构：COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(CCl)cc3)cc21

HCID68501265

未命名化合物

PRODUCTS

生成物

结构：COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(CN4CCC(c5ccccc5)C4)cc3)cc21

HCID68503996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ab59f6677464cc196cbdf9dbc2eb95f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][O:61][C:62]([CH3:63])([CH3:64])[CH3:65].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:25][CH2:26][c:27]3[cH:28][cH:29][c:30]4[c:31]([cH:41]3)[N:32]([CH2:36][CH2:37][CH2:38][O:39][CH3:40])[CH2:33][CH2:34][O:35]4)[CH2:11][N:12]([C:15](=[O:16])[O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1.[H-:53].[Na+:54].[c:42]1([CH:48]2[CH2:49][NH:50][CH2:51][CH2:52]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:25][CH2:26][c:27]3[cH:28][cH:29][c:30]4[c:31]([cH:41]3)[N:32]([CH2:36][CH2:37][CH2:38][O:39][CH3:40])[CH2:33][CH2:34][O:35]4)[CH2:11][N:12]([C:15](=[O:16])[O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1)[N:50]1[CH2:49][CH:48]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:52][CH2:51]1