HRID148395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID576296

Tetrahydro-2H-thiopyran-4-ol

C5H10OS

结构：Cc1cc(O)cc(C)c1-c1cccc(CN(c2ccc(CCC(=O)OC(C)(C)C)c(F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

HCID23157516

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OC2CCSCC2)cc(C)c1-c1cccc(CN(c2ccc(CCC(=O)OC(C)(C)C)c(F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

HCID23157629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ad73b8eb5bf44d782f906e0c1dbe0a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[F:1][c:2]1[c:3]([CH2:37][CH2:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH2:21][c:22]2[cH:23][c:24](-[c:28]3[c:29]([CH3:36])[cH:30][c:31]([OH:35])[cH:32][c:33]3[CH3:34])[cH:25][cH:26][cH:27]2)[cH:7]1.[O:72]=[C:73]([O:74][CH2:75][CH3:76])[N:77]=[N:78][C:79]([O:80][CH2:81][CH3:82])=[O:83].[O:84]1[CH2:85][CH2:86][CH2:87][CH2:88]1.[S:46]1[CH2:47][CH2:48][CH:49]([OH:52])[CH2:50][CH2:51]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[F:1][c:2]1[c:3]([CH2:37][CH2:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH2:21][c:22]2[cH:23][c:24](-[c:28]3[c:29]([CH3:36])[cH:30][c:31]([O:35][CH:49]4[CH2:48][CH2:47][S:46][CH2:51][CH2:50]4)[cH:32][c:33]3[CH3:34])[cH:25][cH:26][cH:27]2)[cH:7]1