Ethanol → HCID 135610092, compound

HRID 2154076Notes

Reaction equation

HRID 2154076 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5](=[O:12])[nH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[C:25](=[O:26])([O-:27])[O-:28].[C:50](=[O:51])([OH:52])[O-:53].[CH2:120]([Cl:121])[Cl:122].[CH3:13][c:14]1[c:15]([B:22]([OH:23])[OH:24])[c:16]([CH3:21])[cH:17][c:18]([CH3:20])[cH:19]1.[CH3:54][N:55]([CH3:56])[C:57](=[O:58])[CH3:59].[CH3:60][CH2:61][OH:62].[K+:29].[K+:30].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH2:63].[Pd:64].[Pd:65].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1(-[c:15]2[c:14]([CH3:13])[cH:19][c:18]([CH3:20])[cH:17][c:16]2[CH3:21])[cH:3][c:4]2[c:5](=[O:12])[nH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

13

Reactant 12

HCID 702EthanolHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 31374DimethylacetamideHCID 95417Dibenzylidene acetone3×HCID 2921842,4,6-Trimethylbenzeneboronic acidHCID 1354449056-bromoquinazolin-4-ol

Product 1

HCID 135610092HCID 135610092, compound

Sources & evidence

ORD record
ord-3de755c21afe421da135970dd514fb37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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