HRID137316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID13345

Triethyl phosphonoacetate

C8H17O5P

结构：CCCCCCCOc1ccc(CCC(C)(C=O)NC(=O)OC(C)(C)C)cc1

HCID58972205

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCCCCCOc1ccc(CCC(C)(C=CC(=O)OCC)NC(=O)OC(C)(C)C)cc1

HCID68586107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12857756513e4d2c845cbb59642e66a2
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:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25]([NH:26][C:27]([CH2:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[cH:34][cH:35]1)([CH3:44])[CH:45]=[O:46])=[O:47].[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][P:6]([O:7][CH2:8][CH3:9])([O:10][CH2:11][CH3:12])=[O:13])=[O:14].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:45][C:27]([NH:26][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:47])([CH2:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[cH:34][cH:35]1)[CH3:44])=[O:14]