HRID2123260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID2734749

Piperonyloyl chloride

C8H5ClO3

反应SMILES：Cc1ccc(C2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1

HCID10685309

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C2c3c(C)c(NC(=O)c4ccc5c(c4)OCO5)c(C)c(C)c3OC2(C)C)cc1

HCID21961309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-09c33186edd54e48858d0056dea16b12
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

[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:1][C:2]1([CH3:22])[O:3][c:4]2[c:5]([c:14]([CH3:21])[c:15]([NH2:20])[c:16]([CH3:19])[c:17]2[CH3:18])[CH:6]1[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1.[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[O:23]1[CH2:24][O:25][c:26]2[c:27]1[cH:28][cH:29][c:30]([C:32](=[O:33])[Cl:34])[cH:31]2>>[CH3:1][C:2]1([CH3:22])[O:3][c:4]2[c:5]([c:14]([CH3:21])[c:15]([NH:20][C:32]([c:30]3[cH:29][cH:28][c:27]4[c:26]([cH:31]3)[O:25][CH2:24][O:23]4)=[O:33])[c:16]([CH3:19])[c:17]2[CH3:18])[CH:6]1[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1