HRID1212581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID13676038

tert-Butyl cyclopropanecarboxylate

C8H14O2

反应SMILES：CC1C(=O)OC(=O)N1C(=O)OCc1ccccc1

HCID14778048

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CC(NC(=O)OCc1ccccc1)C(=O)C1(C(=O)OC(C)(C)C)CC1

HCID70952340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e3ca7f175fca41bdaeaca6d63cd60b51
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

[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:29][CH:30]1[N:31]([C:37](=[O:38])[O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[C:35](=[O:36])[O:33][C:34]1=[O:32].[CH3:53][C:54](=[O:55])[OH:56].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:19]1([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]1.[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[OH2:52]>>[C:19]1([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])([C:34]([CH:30]([CH3:29])[NH:31][C:37](=[O:38])[O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:33])[CH2:20][CH2:21]1