Ethanol → HCID 135610093, compound

HRID 670877Notes

Reaction equation

HRID 670877 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:24](=[O:25])([O-:26])[O-:27].[C:49](=[O:50])([OH:51])[O-:52].[CH2:119]([Cl:120])[Cl:121].[CH3:13][c:14]1[c:15]([B:21]([OH:22])[OH:23])[c:16]([CH3:20])[cH:17][cH:18][cH:19]1.[CH3:53][N:54]([CH3:55])[C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][OH:61].[K+:28].[K+:29].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:62].[Pd:63].[Pd:64].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1(-[c:15]2[c:14]([CH3:13])[cH:19][cH:18][cH:17][c:16]2[CH3:20])[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 5833222,6-Dimethylphenylboronic acidHCID 1354449056-bromoquinazolin-4-ol

Product 1

HCID 135610093HCID 135610093, compound

Sources & evidence

ORD record
ord-3009a431346042d0b7a920d2035fa60b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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