HRID2133735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11005

Tetradecanoic acid

C14H28O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COC(C(=O)NC1CCC(O)CN(Cc2cccnc2)C1=O)C1OC(C)(C)OC(C=CC(C)(C)C)C1O

HCID178496397

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C2OC(C)(C)OC(C=CC(C)(C)C)C2O)C(=O)N(Cc2cccnc2)C1

HCID178443186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f9d1861d6ab433c95041075e07f7c7b
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:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])(=[O:15])[OH:16].[CH3:17][C:18]([CH:19]=[CH:20][CH:21]1[CH:22]([OH:51])[CH:23]([CH:29]([C:30](=[O:31])[NH:32][CH:33]2[C:34](=[O:48])[N:35]([CH2:41][c:42]3[cH:43][n:44][cH:45][cH:46][cH:47]3)[CH2:36][CH:37]([OH:40])[CH2:38][CH2:39]2)[O:49][CH3:50])[O:24][C:25]([CH3:27])([CH3:28])[O:26]1)([CH3:52])[CH3:53].[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])([O:15][CH:37]1[CH2:36][N:35]([CH2:41][c:42]2[cH:43][n:44][cH:45][cH:46][cH:47]2)[C:34](=[O:48])[CH:33]([NH:32][C:30]([CH:29]([CH:23]2[CH:22]([OH:51])[CH:21]([CH:20]=[CH:19][C:18]([CH3:17])([CH3:52])[CH3:53])[O:26][C:25]([CH3:27])([CH3:28])[O:24]2)[O:49][CH3:50])=[O:31])[CH2:39][CH2:38]1)=[O:16]