Ethanol → HCID 178431567, compound

HRID 315052Notes

Reaction equation

HRID 315052 reaction equation
[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([NH2:13])[cH:14][cH:15]2)[O:16]1.[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[CH3:60][CH2:61][OH:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:17][c:18]1[n:19][c:20]([N:35]2[CH:36]([CH3:41])[CH2:37][O:38][CH2:39][CH2:40]2)[cH:21][c:22]([CH2:24][S:25](=[O:26])(=[O:27])[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[n:23]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:59].[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>>[c:9]1(-[c:18]2[n:19][c:20]([N:35]3[CH:36]([CH3:41])[CH2:37][O:38][CH2:39][CH2:40]3)[cH:21][c:22]([CH2:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[n:23]2)[cH:10][cH:11][c:12]([NH2:13])[cH:14][cH:15]1

Participants

12

Reactant 11

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27346204-(Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 178431569HCID 178431569, compound

Product 1

HCID 178431567HCID 178431567, compound

Sources & evidence

ORD record
ord-1df374496b184a88a796e473b3e0d601
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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