HRID684102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22236963

Diethyl (hydroxymethyl)(phenyl)propanedioate

C14H18O5

结构：CCOC(=O)c1cc(CC(=O)O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID57683225

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(CC(=O)OCC(C(=O)OCC)(C(=O)OCC)c2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID57503494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d5b3ba13c3f48d3b7a9dd58b84cfc2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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