Benzene → HCID 178489746, compound
Reaction equation
[Br:1][c:2]1[c:3](=[O:35])[n:4]([CH2:19][CH:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:5](=[O:18])[n:6]([CH2:9][c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[c:7]1[CH3:8].[CH3:56][CH2:57][OH:58].[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[F:36][c:37]1[c:38]([B:45]([OH:46])[OH:47])[cH:39][cH:40][cH:41][c:42]1[O:43][CH3:44].[N:48]#[N:49].[Pd:65].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:123]1([P:124]([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138][cH:139][cH:140][cH:141]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1.[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:2]1(-[c:38]2[c:37]([F:36])[c:42]([O:43][CH3:44])[cH:41][cH:40][cH:39]2)[c:3](=[O:35])[n:4]([CH2:19][CH:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:5](=[O:18])[n:6]([CH2:9][c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[c:7]1[CH3:8]Participants
9
Reactant 8
HCID 241Benzene
HCID 702Ethanol
HCID 947Nitrogen
HCID 80711,2-Dimethoxyethane
HCID 11776Triphenylphosphine4×
HCID 23938Palladium
HCID 49857442-Fluoro-3-methoxyphenylboronic acid
HCID 22037863tert-butyl N-[2-[5-bromo-3-[(2,6-difluorophenyl)methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-cyclohexylethyl]carbamateProduct 1
Sources & evidence
- ORD record
- ord-2f2125f95fd74111950ddc297edc6763
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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