Ethanol → HCID 18437414, compound

HRID 1218949Notes

Reaction equation

HRID 1218949 reaction equation
[CH3:45][c:46]1[c:47]([B:52]([OH:53])[OH:54])[cH:48][cH:49][cH:50][cH:51]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][OH:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][N:11]([CH2:12][c:13]1[n:14]([CH2:25][CH2:26][CH2:27][CH3:28])[c:15]([I:24])[n:16][c:17]1-[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:29][c:30]1[cH:31][c:32]3[c:33]([cH:37][cH:38]1)[O:34][CH2:35][O:36]3)[cH:9]2.[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>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][N:11]([CH2:12][c:13]1[n:14]([CH2:25][CH2:26][CH2:27][CH3:28])[c:15](-[c:47]3[c:46]([CH3:45])[cH:51][cH:50][cH:49][cH:48]3)[n:16][c:17]1-[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:29][c:30]1[cH:31][c:32]3[c:33]([cH:37][cH:38]1)[O:34][CH2:35][O:36]3)[cH:9]2

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27332672-Methylphenyl boronic acidHCID 10054673HCID 10054673, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 18437414HCID 18437414, compound

Sources & evidence

ORD record
ord-432004ad87df4044a4fde0bd97e137e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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