Acetonitrile → 4-{1-Ethyl-1-[4-(1-hydroxy-cyclopentylethynyl)-3-methyl-phenyl]-propyl}-2-methyl-phenol
Reaction equation
[C:8](#[CH:9])[C:10]1([OH:15])[CH2:11][CH2:12][CH2:13][CH2:14]1.[CH2:17]([CH3:18])[C:19]([CH2:20][CH3:21])([c:22]1[cH:23][c:24]([CH3:29])[c:25]([OH:28])[cH:26][cH:27]1)[c:30]1[cH:31][c:32]([CH3:44])[c:33]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])[cH:34][cH:35]1.[CH3:125][CH2:126][O:127][C:128](=[O:129])[CH3:130].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:45][C:46]#[N:47].[I-:16].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[C:8](#[C:9][c:33]1[c:32]([CH3:44])[cH:31][c:30]([C:19]([CH2:17][CH3:18])([CH2:20][CH3:21])[c:22]2[cH:23][c:24]([CH3:29])[c:25]([OH:28])[cH:26][cH:27]2)[cH:35][cH:34]1)[C:10]1([OH:15])[CH2:11][CH2:12][CH2:13][CH2:14]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-64e8960405a449cab22b15eb1ab8a84f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…