HRID2143104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID13022400

2-Fluorooctan-1-ol

C8H17FO

结构：CCCCCCC(F)COc1cnc(-c2ccc(CCCCC)c(F)c2F)nc1

HCID54370938

未命名化合物

结构：CCCCCC1CCC(CCc2ccc(-c3ncc(O)cn3)c(F)c2F)CC1

HCID54434627

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(F)COc1cnc(-c2ccc(CCC3CCC(CCCCC)CC3)c(F)c2F)nc1

HCID178443895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b63982c276894612b7935da59a89e2e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:99]1[O:100][CH2:101][CH2:102][CH2:103]1.[F:13][CH:14]([CH2:15][OH:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].[F:23][c:24]1[c:25](-[c:44]2[n:45][cH:46][c:47]([OH:50])[cH:48][n:49]2)[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH:33]2[CH2:34][CH2:35][CH:36]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:37][CH2:38]2)[c:29]1[F:30].[F:70][c:71]1[c:72]([F:73])[c:74]([CH2:75][CH2:76][CH2:77][CH2:78][CH3:79])[cH:80][cH:81][c:82]1-[c:83]1[n:84][cH:85][c:86]([O:87][CH2:88][CH:89]([F:90])[CH2:91][CH2:92][CH2:93][CH2:94][CH2:95][CH3:96])[cH:97][n:98]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[F:13][CH:14]([CH2:15][O:16][c:47]1[cH:46][n:45][c:44](-[c:25]2[c:24]([F:23])[c:29]([F:30])[c:28]([CH2:31][CH2:32][CH:33]3[CH2:34][CH2:35][CH:36]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:37][CH2:38]3)[cH:27][cH:26]2)[n:49][cH:48]1)[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]