Ethanol → HCID 178431517, compound

HRID 309292Notes

Reaction equation

HRID 309292 reaction equation
[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][cH:39][c:40]([NH2:41])[cH:42][cH:43]2)[O:44]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[CH3:62][CH2:63][OH:64].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH:23]([CH3:28])[CH2:24][O:25][CH2:26][CH2:27]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[S:11](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]2)[n:7]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:65].[Pd:72]([Cl:73])[Cl:74].[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[c:2]1(-[c:37]2[cH:38][cH:39][c:40]([NH2:41])[cH:42][cH:43]2)[n:3][c:4]([N:22]2[CH:23]([CH3:28])[CH2:24][O:25][CH2:26][CH2:27]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[S:11](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]2)[n:7]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 178431518HCID 178431518, compound

Product 1

HCID 178431517HCID 178431517, compound

Sources & evidence

ORD record
ord-7d45db60dc404664a6205accf7576cad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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