HRID108834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(C(C)(C)C)cc1)C(=O)CC1(CCC1)O2

HCID58002957

未命名化合物

PRODUCTS

生成物

HCID58002932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2e4254945aa477c985a2e1a0f61fe09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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