HRID1537692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID7134

Benzeneacetic acid, 2-methoxy-

C9H10O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID8857

Ethyl Acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID166653

Hydride

H-

HCID250174

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID21264537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1a6eee6392934eb8b365c15906efc26f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:15]([Cl:16])(=[O:17])[C:18]([CH3:19])([CH3:20])[CH3:21].[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7][cH:8]1.[CH3:27][CH:28]1[NH:29][C:30](=[O:39])[O:31][CH:32]1[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:40].[H-:13].[Li:22][CH2:23][CH2:24][CH2:25][CH3:26].[NH4+:41].[Na+:14].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[O:12])[N:29]2[CH:28]([CH3:27])[CH:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[O:31][C:30]2=[O:39])[cH:5][cH:6][cH:7][cH:8]1