HRID1233747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10908

tert-Butyl acetate

C6H12O2

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

HCID11245840

methyl 4-triphenylmethyloxy-3-hydroxybutyrate

C24H24O4

HCID178506879

未命名化合物

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-cd810f91d10647e98c5420c38ff78b6f
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:1]([CH3:2])(=[O:3])[O:4][C:5]([CH3:6])([CH3:7])[CH3:8].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl-:46].[Li:37][CH2:38][C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45].[NH4+:47].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH:9][CH:10]([CH2:11][C:12](=[O:13])[O:14][CH3:15])[CH2:16][O:17][C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[C:1]([CH2:2][C:12]([CH2:11][CH:10]([OH:9])[CH2:16][O:17][C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:13])(=[O:3])[O:4][C:5]([CH3:6])([CH3:7])[CH3:8]