HRID1142297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID10869045

未命名化合物

结构：CCCCC(NC(=O)OC(C)(C)C)C(O)C(=O)OCc1ccccc1

HCID76442510

未命名化合物

PRODUCTS

生成物

HCID76457317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30a2b470343b488db0ba7a1fc9780d00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[C:19](=[O:20])([O-:21])[OH:22].[C:57]([O:58][CH2:59][CH3:60])(=[O:61])[CH3:62].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[ClH:63].[Na+:23].[OH:1][CH:2]([CH:3]([NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH2:12][CH2:13][CH2:14][CH3:15])[C:16]([OH:17])=[O:18].[OH:32][CH:33]([C:34](=[O:35])[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:44]([CH2:45][CH2:46][CH2:47][CH3:48])[NH:49][C:50]([O:51][C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56]>>[OH:32][CH:33]([C:34](=[O:35])[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:44]([CH2:45][CH2:46][CH2:47][CH3:48])[NH2:49]