HRID2146276

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

结构：COc1cc(C2CC(C)(C)CC(C)(C)C2)c(N2CCNCC2)cc1OC

HCID23141539

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2CC(C)(C)CC(C)(C)C2)c(N2CCN(CC(C)C)CC2)cc1OC

HCID23141988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12bf60cab5e04da2875762467699a191
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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