HRID2160038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6584

Methyl acetate

C3H6O2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID14011816

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)CC(O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID14390824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-806410f94bb94a9b9f30a2bb62ba1365
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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