HRID182826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID8857

Ethyl Acetate

C4H8O2

HCID6487047

4-[2-(Pyrrolidin-1-yl)ethyl]aniline

C12H18N2

HCID178434718

未命名化合物

PRODUCTS

产物

HCID178434717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0ff2952077594f9b95e15f0593dfb7ee
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

[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[N:35]1([CH2:40][CH2:41][c:42]2[cH:43][cH:44][c:45]([NH2:48])[cH:46][cH:47]2)[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH:1][CH:2]=[C:3]1[C:4](=[O:29])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[c:24]([CH3:28])[n:25][o:26][cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21>>[CH:2](=[C:3]1[C:4](=[O:29])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[c:24]([CH3:28])[n:25][o:26][cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21)[NH:48][c:45]1[cH:44][cH:43][c:42]([CH2:41][CH2:40][N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:47][cH:46]1