HRID173121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CCOc1c(C(=O)O)c(C(=O)O)c(OCc2ccccc2)c2ccccc12

HCID58012480

未命名化合物

HCID59760056

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OCc4ccccc4)c4ccccc4c3OCC)C2=O)c(F)c1

HCID58012495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45bbea7707cd49509ae26642a7c8e1a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:25](=[O:26])[OH:27])[c:6]([C:22](=[O:23])[OH:24])[c:7]([O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12.[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[NH2:28][c:29]1[c:30]([F:41])[cH:31][c:32]([CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:33][cH:34]1.[OH2:42]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]2[c:6]([c:7]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]13)[C:22](=[O:23])[N:28]([c:29]1[c:30]([F:41])[cH:31][c:32]([CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:33][cH:34]1)[C:25]2=[O:26]