Hydrochloric Acid → HCID 66731996, compound

HRID 1557224Notes

Reaction equation

HRID 1557224 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[C:40]([O:41][CH3:42])([CH3:43])([CH3:44])[CH3:45].[CH3:38][OH:39].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1.[Cl:50][CH2:51][Cl:52].[ClH:31].[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1)([F:23])[F:24].[K+:29].[K+:30].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH2:49].[Pd:46]([Cl:47])[Cl:48]>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[cH:19][cH:18]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 2736842Methyl 2-chloropyridine-4-carboxylate

Product 1

HCID 66731996HCID 66731996, compound

Sources & evidence

ORD record
ord-94b9f4de4c514c308230291424f0d40c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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