HRID114010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID70276

Benzoyl chloride, 2-methyl-

C8H7ClO

结构：COc1cc(O)ccc1-c1ccc2c(c1CO)NC(=O)C(C)(C)N2

HCID57671985

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC(=O)c2ccccc2C)ccc1-c1ccc2c(c1CO)NC(=O)C(C)(C)N2

HCID68926691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a41c90e929a445cb9608b972e03cce5
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

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