Ethanol → HCID 11215412, compound

HRID 162018Notes

Reaction equation

HRID 162018 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH:8]([CH2:9][c:10]2[cH:11][c:12]3[cH:13][n:14][nH:15][c:16]3[c:17]([CH3:19])[cH:18]2)[NH:20][C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([N:29]3[C:30](=[O:39])[NH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]4[CH2:38]3)[CH2:27][CH2:28]2)[n:7]1.[C:56](=[O:57])([O-:58])[O-:59].[CH3:139][CH2:140][OH:141].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[K+:60].[K+:61].[c:40]1([B:46]([OH:47])[OH:48])[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:2]1(-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:3][cH:4][cH:5][c:6]([CH:8]([CH2:9][c:10]2[cH:11][c:12]3[cH:13][n:14][nH:15][c:16]3[c:17]([CH3:19])[cH:18]2)[NH:20][C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([N:29]3[C:30](=[O:39])[NH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]4[CH2:38]3)[CH2:27][CH2:28]2)[n:7]1

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 1140TolueneHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 11215446HCID 11215446, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 11215412HCID 11215412, compound

Sources & evidence

ORD record
ord-e0ea8f4106a8412fb03606657c703310
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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