HRID92658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(C)OP(=O)(OC(C)(C)C)C(F)(F)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc2)(C(=O)O)C(=O)O)cc1

HCID21265768

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1)(Cc1ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1)C(=O)O

HCID21265729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35b10565b4624b2683c26ad8ecc51454
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

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