Acetic Acid → HCID 15887920, compound

HRID 1544680Notes

Reaction equation

HRID 1544680 reaction equation
[Br:39][c:40]1[cH:41][cH:42][c:43]2[c:44](=[O:62])[c:45]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[cH:46][n:47]([CH:54]3[CH2:55][CH2:56]3)[c:48]2[c:49]1[O:50][CH:51]([F:52])[F:53].[CH3:110][CH2:111][OH:112].[CH3:113][C:114](=[O:115])[OH:116].[CH3:117][O:118][CH2:119][CH2:120][O:121][CH2:122][CH2:123][O:124][CH3:125].[CH3:2][CH:3]1[N:4]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:5][c:6]2[cH:7][c:8]([B:12]3[O:13][CH2:14][CH2:15][NH:16][CH2:17][CH2:18][O:19]3)[cH:9][cH:10][c:11]21.[Na+:63].[Na+:64].[O-:65][C:66](=[O:67])[O-:68].[OH2:1].[Pd:69]([Cl:70])[Cl:71].[c:72]1([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)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([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)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[CH3:2][CH:3]1[N:4]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:5][c:6]2[cH:7][c:8](-[c:40]3[cH:41][cH:42][c:43]4[c:44](=[O:62])[c:45]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[cH:46][n:47]([CH:54]5[CH2:55][CH2:56]5)[c:48]4[c:49]3[O:50][CH:51]([F:52])[F:53])[cH:9][cH:10][c:11]21

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 8150DiglymeHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 11732152Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylateHCID 18401784HCID 18401784, compound

Product 1

HCID 15887920HCID 15887920, compound

Sources & evidence

ORD record
ord-1b16ab658834464abb794706a882ed5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…