HRID297529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

HCID57841325

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccc(O)c(C(=O)O)c3)cc2)cc1

HCID16040640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d606ee2e24fb49d19f659a8363b3353d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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