HRID286161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4684

4-Chlorophenol

C6H5ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

反应SMILES：Cc1c(CO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

HCID10546382

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(COc2ccc(Cl)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

HCID10504537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1a7e8056242a48e38961b79c798e82e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:25])[c:10]([CH2:23][OH:24])[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[OH:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:25])[c:10]([CH2:23][O:24][c:27]3[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1