Ethanol → HCID 178426850, compound

HRID 316447Notes

Reaction equation

HRID 316447 reaction equation
[Br:21][c:22]1[cH:23][cH:24][c:25]([N:28]2[CH2:29][CH:30]([CH2:33][NH:34][C:35]([c:36]3[cH:37][cH:38][c:39](-[c:42]4[o:43][c:44]5[c:45]([n:46]4)[cH:47][c:48]([C:54]#[N:55])[cH:49][c:50]5[CH:51]([CH3:52])[CH3:53])[cH:40][cH:41]3)=[O:56])[CH2:31][CH2:32]2)[n:26][cH:27]1.[CH3:142][CH2:143][OH:144].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH:7]([CH3:8])([CH3:9])[O:10][c:11]1[c:12]([B:18]([OH:19])[OH:20])[cH:13][c:14]([CH3:17])[cH:15][cH:16]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:57].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([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)[cH:140][cH:141]1>>[CH:7]([CH3:8])([CH3:9])[O:10][c:11]1[c:12](-[c:22]2[cH:23][cH:24][c:25]([N:28]3[CH2:29][CH:30]([CH2:33][NH:34][C:35]([c:36]4[cH:37][cH:38][c:39](-[c:42]5[o:43][c:44]6[c:45]([n:46]5)[cH:47][c:48]([C:54]#[N:55])[cH:49][c:50]6[CH:51]([CH3:52])[CH3:53])[cH:40][cH:41]4)=[O:56])[CH2:31][CH2:32]3)[n:26][cH:27]2)[cH:13][c:14]([CH3:17])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 35474222-Isopropoxy-5-methylphenylboronic acidHCID 178420554HCID 178420554, compoundHCID 178439218HCID 178439218, compound

Product 1

HCID 178426850HCID 178426850, compound

Sources & evidence

ORD record
ord-c0d29bd532fc4e8c887e62a75e01054b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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