Ethanol → HCID 59375027, compound

HRID 675675Notes

Reaction equation

HRID 675675 reaction equation
[Br:30][c:31]1[c:32]([CH3:47])[c:33](-[n:37]2[c:38](=[O:46])[c:39]3[n:40]([cH:41][cH:42]2)[cH:43][cH:44][n:45]3)[cH:34][cH:35][cH:36]1.[CH2:61]([OH:62])[CH3:63].[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[cH:6][cH:7][c:8]2[c:9]3[c:10]([B:21]4[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]4)[cH:11][cH:12][c:13]([C:18](=[O:19])[NH2:20])[c:14]3[nH:15][c:16]2[cH:17]1.[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54].[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[c:64]1([CH3:65])[cH:66][cH:67][cH:68][cH:69][cH:70]1.[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[cH:6][cH:7][c:8]2[c:9]3[c:10](-[c:31]4[c:32]([CH3:47])[c:33](-[n:37]5[c:38](=[O:46])[c:39]6[n:40]([cH:41][cH:42]5)[cH:43][cH:44][n:45]6)[cH:34][cH:35][cH:36]4)[cH:11][cH:12][c:13]([C:18](=[O:19])[NH2:20])[c:14]3[nH:15][c:16]2[cH:17]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 59375093HCID 59375093, compoundHCID 66606868HCID 66606868, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 59375027HCID 59375027, compound

Sources & evidence

ORD record
ord-bdb9fe8773f34e798eb010d2ad2e9872
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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