Ethanol → HCID 178422012, compound

HRID 1222136Notes

Reaction equation

HRID 1222136 reaction equation
[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH3:61][CH2:62][OH:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:31])[N:15]([CH2:19][c:20]3[c:21]([I:30])[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:32])[F:33].[N:34]1([c:39]2[cH:40][c:41]([B:45]([OH:46])[OH:47])[cH:42][cH:43][cH:44]2)[CH2:35][CH2:36][CH2:37][CH2:38]1.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[OH2:60].[Pd:71].[c:110]1([P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125][cH:126][cH:127][cH:128]1.[c:129]1([P:130]([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144][cH:145][cH:146][cH:147]1.[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>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:31])[N:15]([CH2:19][c:20]3[c:21](-[c:41]4[cH:40][c:39]([N:34]5[CH2:35][CH2:36][CH2:37][CH2:38]5)[cH:44][cH:43][cH:42]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:32])[F:33]

Participants

11

Reactant 10

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 41926693-(Pyrrolidino)phenylboronic acidHCID 760248592-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-, (4S,5R)-

Product 1

HCID 178422012HCID 178422012, compound

Sources & evidence

ORD record
ord-ca75522af97e45f495df9c89d49b46fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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