Ammonium → 5-(4-Fluorophenyl)-7-isopropyl-2,2-dimethyl-4-oxochroman-6-carbaldehyde
Reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[Cl-:43].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]2[c:13]([cH:14][c:15]([CH:19]([CH3:20])[CH3:21])[c:16]1[CH:17]=[O:18])[O:12][C:11]([CH3:22])([CH3:23])[CH2:10][C:9]2=[O:24])(=[O:25])=[O:26].[F:27][c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[K+:41].[K+:42].[NH4+:44].[O:122]1[CH2:123][CH2:124][O:125][CH2:126][CH2:127]1.[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:7]1(-[c:31]2[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]2)[c:8]2[c:13]([cH:14][c:15]([CH:19]([CH3:20])[CH3:21])[c:16]1[CH:17]=[O:18])[O:12][C:11]([CH3:22])([CH3:23])[CH2:10][C:9]2=[O:24]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-cc65c148cffd43e0bd91dfa8dee0f339
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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