Diisopropylamine → HCID 90817021, compound
Reaction equation
[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][CH2:6][CH:7]([OH:10])[CH2:8][CH2:9]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH:11]([NH:12][CH:13]([CH3:14])[CH3:15])([CH3:16])[CH3:17].[Cu:62][I:63].[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]([S:48][CH3:49])[cH:46][cH:47]2)[cH:23][cH:24]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]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]([S:48][CH3:49])[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]1Participants
8
Reactant 7
HCID 7912Diisopropylamine
HCID 8028Tetrahydrofuran
HCID 8471Triethylamine
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 186167231-(Prop-2-yn-1-yl)piperidin-4-ol
HCID 90798870Methyl 2-[4-[3-(4-iodophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoxy]-2-methylphenoxy]acetate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-d2bc1b8a691f444b92b77e1a22b738bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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