HRID2349340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID425305

STK256619

C13H16NOS+

HCID46941440

未命名化合物

HCID59331481

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(C(CC2CCOCC2)C(=O)CCC(=O)c2ccc(C3COC(C)(C)O3)cn2)cc1F

HCID59331431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb466eda83864447bda55433fcf761d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:46]([n+:47]1[c:48]([CH3:49])[c:50]([CH2:51][CH2:52][OH:53])[s:54][cH:55]1)[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:22][CH2:23][OH:24].[CH3:30][C:31]1([CH3:44])[O:32][CH2:33][CH:34]([c:36]2[cH:37][cH:38][c:39]([CH:42]=[O:43])[n:40][cH:41]2)[O:35]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[Cl-:45].[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11]([CH:12]=[CH2:13])=[O:14])[CH2:15][CH:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8][CH3:9].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1>>[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11]([CH2:12][CH2:13][C:42]([c:39]2[cH:38][cH:37][c:36]([CH:34]3[CH2:33][O:32][C:31]([CH3:30])([CH3:44])[O:35]3)[cH:41][n:40]2)=[O:43])=[O:14])[CH2:15][CH:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8][CH3:9]