HRID2124714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)CCc1cc(C)c(-c2cc3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3[nH]2)c(C)c1

HCID66966000

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CCC(=O)O)cc(C)c1-c1cc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1

HCID66965146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d427025cc832453bbca460c3c9bc232b
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

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