HRID140354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

HCID11326777

未命名化合物

结构：CCOC(=O)C(Cc1ccc(O)c(Cc2ccccc2)c1)OCC

HCID22708450

Ethyl 3-(3-benzyl-4-hydroxyphenyl)-2-ethoxypropanoate

C20H24O4

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)c(Cc2ccccc2)c1)OCC

HCID22708452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3256d4ecbf8a4568a13d997bd27a2a18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:52](=[O:53])([O-:54])[O-:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH2:15][CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[O:22][CH2:23][CH3:24])[cH:11][cH:12][c:13]1[OH:14].[CH3:25][c:26]1[cH:27][cH:28][c:29]([S:30]([O:31][CH2:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([NH:44][C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:42][cH:43]2)(=[O:32])=[O:33])[cH:34][cH:35]1.[CH3:59][C:60](=[O:61])[CH2:62][CH3:63].[K+:56].[K+:57].[OH2:58]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH2:15][CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[O:22][CH2:23][CH3:24])[cH:11][cH:12][c:13]1[O:14][CH2:36][CH2:37][c:38]1[cH:39][cH:40][c:41]([NH:44][C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:42][cH:43]1