HRID2345400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID69389

3-Buten-1-ol

C4H8O

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCOc1ccc(Br)cc1

HCID11270806

未命名化合物

结构：Oc1ccc(-c2ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c2F)cc1

HCID87739962

未命名化合物

PRODUCTS

生成物

结构：C=CCCOc1ccc(-c2ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c2F)cc1

HCID87739630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99041cf57c7448ca91aa0ef39261e68b
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

[Br:70][c:71]1[cH:72][cH:73][c:74]([O:75][CH2:76][CH2:77][CH2:78][CH2:79][C:80]([F:81])([F:82])[C:83]([F:84])([F:85])[C:86]([F:87])([F:88])[C:89]([F:90])([F:91])[F:92])[cH:93][cH:94]1.[CH2:13]([CH2:14][CH:15]=[CH2:16])[OH:17].[F:18][c:19]1[c:20](-[c:44]2[cH:45][cH:46][c:47]([OH:50])[cH:48][cH:49]2)[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31]([C:32]([C:33]([C:34]([F:35])([F:36])[F:37])([F:38])[F:39])([F:40])[F:41])([F:42])[F:43])[c:24]1[F:25].[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>>[CH2:13]([CH2:14][CH:15]=[CH2:16])[O:17][c:47]1[cH:46][cH:45][c:44](-[c:20]2[c:19]([F:18])[c:24]([F:25])[c:23]([O:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31]([C:32]([C:33]([C:34]([F:35])([F:36])[F:37])([F:38])[F:39])([F:40])[F:41])([F:42])[F:43])[cH:22][cH:21]2)[cH:49][cH:48]1