HRID140473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6561

2-Methylpropanal

C4H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

HCID23142525

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN1CCN(c2ccccc2C2=CC(C)(C)C(C)(C)C2)CC1

HCID11359768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8af69eb6c8e44fdb2369770bff884ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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