HRID1213375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID18616723

未命名化合物

结构：COC(=O)COc1ccc(OCC=C(c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1C

HCID91270331

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(OCC=C(c2ccc(C#CCN3CCC(O)CC3)cc2)c2ccc(C(F)(F)F)cc2)cc1C

HCID91474668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9efffc7926a142ec816b0b6e5f7d7f0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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