HRID1236735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7892

2-Methylpentane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID59290461

未命名化合物

HCID60815870

未命名化合物

PRODUCTS

生成物

结构：CCCCC(C)N(CC(OC)OC)C(=O)CCOCCc1cccc(-c2cnn(C)c2)c1

HCID67076319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d3c2284fbd74e3aa1eae9b62da2c63b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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