HRID834171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：Fc1cc2nc(-c3ccc(Cl)cc3)n(C(COCC3CCCCC3)C3CCCCC3)c2cc1F

HCID66619202

未命名化合物

HCID178498843

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(Br)c1

HCID66619325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d88fbd29d1a44dc6911df42b7edbef3d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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