Ethanol → Hydrochloric Acid

HRID 2346071Notes

Reaction equation

HRID 2346071 reaction equation
[C:10](=[O:11])([OH:12])[c:13]1[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1.[CH3:22][CH2:23][OH:24].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[Cl:1][c:2]1[cH:3][c:4]([NH2:9])[n:5][c:6]([NH2:8])[n:7]1.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:79].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[ClH:1].[c:2]1(-[c:16]2[cH:15][cH:14][c:13]([C:10](=[O:11])[OH:12])[cH:18][cH:17]2)[cH:3][c:4]([NH2:9])[n:5][c:6]([NH2:8])[n:7]1

Participants

12

Reactant 10

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 674322,4-Diamino-6-chloropyrimidineHCID 3121834-Carboxyphenylboronic Acid

Product 2

HCID 313Hydrochloric AcidHCID 22709722HCID 22709722, compound

Sources & evidence

ORD record
ord-0df0a1cc3d71463fa9c059dfc986da40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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