HRID1235550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81503

Bromomethylcyclopropane

C4H7Br

HCID166653

Hydride

H-

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3ccc(CO)nc3N12

HCID69556869

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3ccc(COCC4CC4)nc3N12

HCID77648134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-690ce279ae964974886510d79a688400
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:26][CH2:27][CH:28]1[CH2:29][CH2:30]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH2:22][OH:23])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[C:31](=[O:32])([OH:33])[O-:34].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[H-:24].[Na+:25].[Na+:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH2:22][O:23][CH2:27][CH:28]4[CH2:29][CH2:30]4)[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1