HRID1233314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID10908

tert-Butyl acetate

C6H12O2

结构：COC(=O)CC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11245840

methyl 4-triphenylmethyloxy-3-hydroxybutyrate

C24H24O4

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(=O)CC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID19778647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9911bed707d9461eaef3958e460f69da
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

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