Reaction equation
[Br:31][c:32]1[cH:33][c:34]([NH:45][C:46](=[O:47])[c:48]2[cH:49][n:50][cH:51][c:52](-[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[cH:53]2)[c:35]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44]1.[CH3:114][CH2:115][O:116][C:117](=[O:118])[CH3:119].[CH3:120][O:121][CH2:122][CH2:123][O:124][CH3:125].[CH3:7][N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[c:16]1[cH:17][cH:18][c:19]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:20][cH:21]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:126].[OH:60][C:61]([CH2:62][C:63]([C:64](=[O:65])[OH:66])([CH2:67][C:68](=[O:69])[OH:70])[OH:71])=[O:72].[Pd:73]([Cl:74])[Cl:75].[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[CH3:7][N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[c:16]1[cH:17][cH:18][c:19](-[c:32]2[cH:33][c:34]([NH:45][C:46](=[O:47])[c:48]3[cH:49][n:50][cH:51][c:52](-[c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[cH:53]3)[c:35]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44]2)[cH:20][cH:21]1Participants
11
Reactant 10
HCID 311Citric Acid
HCID 923Sodium ion2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 8857Ethyl Acetate
HCID 11776Triphenylphosphine2×
HCID 19660Carbonate Ion
HCID 24290Palladium Chloride
HCID 4712653tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
HCID 58508430Tert-butyl 4-bromo-2-(5-phenylpyridine-3-carboxamido)benzoateProduct 1
Sources & evidence
- ORD record
- ord-6dd28f94603646a5a720d706dc08d6e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Linked notes
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