HRID171256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID11124

Methyl propanoate

C4H8O2

结构：O=C(c1ccccc1)N(CCCc1ccccc1O)CCC(c1ccccc1)c1ccccc1

HCID68536523

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=COc1ccccc1CCCN(CCC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1

HCID91134776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9592588436c948d2b3b82b93410b9af3
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:35]([CH2:36][CH3:37])(=[O:38])[O:39][CH3:40].[CH3:41][C:42]#[N:43].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[c:1]1([CH:7]([CH2:8][CH2:9][N:10]([C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[CH2:19][CH2:20][CH2:21][c:22]2[c:23]([OH:28])[cH:24][cH:25][cH:26][cH:27]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][CH2:9][N:10]([C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[CH2:19][CH2:20][CH2:21][c:22]2[c:23]([O:28][CH:37]=[CH:36][C:35](=[O:38])[O:39][CH3:40])[cH:24][cH:25][cH:26][cH:27]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1