Ethanol → HCID 178431514, compound

HRID 192299Notes

Reaction equation

HRID 192299 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.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[CH3:62][CH2:63][OH:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:17][c:18]1[n:19][c:20]([N:37]2[CH:38]([CH3:43])[CH2:39][O:40][CH2:41][CH2:42]2)[cH:21][c:22]([C:24]([CH3:25])([CH3:26])[S:27](=[O:28])(=[O:29])[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[n:23]1.[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:61].[Pd:71]([Cl:72])[Cl:73].[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[c:9]1(-[c:18]2[n:19][c:20]([N:37]3[CH:38]([CH3:43])[CH2:39][O:40][CH2:41][CH2:42]3)[cH:21][c:22]([C:24]([CH3:25])([CH3:26])[S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]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 178431516HCID 178431516, compound

Product 1

HCID 178431514HCID 178431514, compound

Sources & evidence

ORD record
ord-f987e8feb9b3456a929b51c82dc1221f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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