HRID120547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID72971

4-Butoxybenzoic acid

C11H14O3

HCID81531

Diisopropylethylamine

C8H19N

HCID69213108

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1ccc(C(=O)NNC(=O)c2ccc(N3CCC(N(C)C)C3)cc2)cc1

HCID69208757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0609e12610954bbda2f05ffbf32b8840
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[CH3:29][N:30]([CH:31]1[CH2:32][N:33]([c:36]2[cH:37][cH:38][c:39]([C:40](=[O:41])[NH:42][NH2:43])[cH:44][cH:45]2)[CH2:34][CH2:35]1)[CH3:46].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[O:15]=[CH:16][N:17]([CH3:18])[CH3:19].[OH2:47]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:12])[NH:43][NH:42][C:40]([c:39]2[cH:38][cH:37][c:36]([N:33]3[CH2:32][CH:31]([N:30]([CH3:29])[CH3:46])[CH2:35][CH2:34]3)[cH:45][cH:44]2)=[O:41])[cH:13][cH:14]1