HRID1536659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(C)C(=O)OCC)cc2OCCCC)c1

HCID91458561

未命名化合物

PRODUCTS

生成物

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(C)C(=O)O)cc2OCCCC)c1

HCID68956524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-223e7898b59c421a9476f14505a2dc26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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