HRID1114985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

6 次

HCID6344

Dichloromethane

CH2Cl2

反应SMILES：CCC(O)(c1cnc(Sc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)s1)C(F)(F)F

HCID11237000

未命名化合物

HCID71440607

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(O)(c1cnc(S(=O)c2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)s1)C(F)(F)F

HCID178458802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3652adbd241f4fb2bd47cac811e3aacd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:39]([O:40][O-:41])(=[O:42])[c:44]1[c:45]([C:50](=[O:43])[O-:51])[cH:46][cH:47][cH:48][cH:49]1.[CH3:56][OH:57].[Cl:53][CH2:54][Cl:55].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10](=[O:32])[o:11][c:12]3[cH:13][c:14]([S:18][c:19]4[s:20][c:21]([C:24]([CH2:25][CH3:26])([C:27]([F:28])([F:29])[F:30])[OH:31])[cH:22][n:23]4)[cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[Mg+2:52].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:37].[OH2:38]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10](=[O:32])[o:11][c:12]3[cH:13][c:14]([S:18]([c:19]4[s:20][c:21]([C:24]([CH2:25][CH3:26])([C:27]([F:28])([F:29])[F:30])[OH:31])[cH:22][n:23]4)=[O:43])[cH:15][cH:16][c:17]23)[cH:6][cH:7]1