HRID1556915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7342

Ethyl isobutyrate

C6H12O2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1c(C)c2c(c(OCOC(C)OC)c1CC=C(C)C=O)C(=O)OC2

HCID173295991

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)C(O)C(C)=CCc1c(OC)c(C)c2c(c1OCOC(C)OC)C(=O)OC2

HCID178471512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f086874eca164981bab19190ebb035a3
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:13]([CH:14]([CH3:15])[CH3:16])(=[O:17])[O:18][CH2:19][CH3:20].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:21][O:22][c:23]1[c:24]([CH2:41][CH:42]=[C:43]([CH:44]=[O:45])[CH3:46])[c:25]([O:34][CH2:35][O:36][CH:37]([CH3:38])[O:39][CH3:40])[c:26]2[c:30]([c:31]1[CH3:32])[CH2:29][O:28][C:27]2=[O:33].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:47].[NH4+:48]>>[C:13]([C:14]([CH3:15])([CH3:16])[CH:44]([C:43](=[CH:42][CH2:41][c:24]1[c:23]([O:22][CH3:21])[c:31]([CH3:32])[c:30]2[c:26]([c:25]1[O:34][CH2:35][O:36][CH:37]([CH3:38])[O:39][CH3:40])[C:27](=[O:33])[O:28][CH2:29]2)[CH3:46])[OH:45])(=[O:17])[O:18][CH2:19][CH3:20]