HRID214170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl Acetate

C4H8O2

HCID9895457

1-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

C36H44FN5O4

PRODUCTS

产物

HCID6395

Methanesulfonic acid

CH4O3S

HCID9895457

1-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

C36H44FN5O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0c1c98a5ac874266bcbf3663bf1acc7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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