HRID662614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID16028

Tetrabutylammonium

C16H36N+

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

结构：CC(C)(C)OC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)O

HCID4588684

未命名化合物

HCID10911723

未命名化合物

PRODUCTS

生成物

结构：CC(COC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)OC(=O)c1ccccc1

HCID75231704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-242c92e3937e4ea099a862087e496d9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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