Sodium ion → Tert-butyl 4-(3-(diethylamino)phenyl)-2-(5-phenylpyridine-3-carboxamido)benzoate

HRID 95985Notes

Reaction equation

HRID 95985 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:15][C:16](=[O:17])[c:18]2[cH:19][n:20][cH:21][c:22](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:23]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[CH2:36]([CH3:37])[N:38]([c:39]1[cH:40][c:41]([B:45]2[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]2)[cH:42][cH:43][cH:44]1)[CH2:54][CH3:55].[CH3:102][O:103][CH2:104][CH2:105][O:106][CH3:107].[CH:97]([Cl:98])([Cl:99])[Cl:100].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:101].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([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)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([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)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[c:2]1(-[c:41]2[cH:40][c:39]([N:38]([CH2:36][CH3:37])[CH2:54][CH3:55])[cH:44][cH:43][cH:42]2)[cH:3][c:4]([NH:15][C:16](=[O:17])[c:18]2[cH:19][n:20][cH:21][c:22](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:23]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 6212ChloroformHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 58508430Tert-butyl 4-bromo-2-(5-phenylpyridine-3-carboxamido)benzoateHCID 66990273N,N-diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Product 1

HCID 66990777Tert-butyl 4-(3-(diethylamino)phenyl)-2-(5-phenylpyridine-3-carboxamido)benzoate

Sources & evidence

ORD record
ord-f535914fdddb403dbc5c1f85442c46a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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