Water → Hydrochloric Acid

HRID 1547608Notes

Reaction equation

HRID 1547608 reaction equation
[CH2:17]([CH2:18][CH2:19][CH3:20])[c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[Cl:1][c:2]1[c:3]([F:9])[c:4]([NH2:5])[cH:6][cH:7][cH:8]1.[Cs+:31].[F-:30].[NH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:32].[Pd:33]>>[ClH:1].[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([CH2:17][CH2:18][CH2:19][CH3:20])[cH:26][cH:25]2)[c:3]([F:9])[c:4]([NH2:5])[cH:6][cH:7][cH:8]1

Participants

11

Reactant 9

HCID 962WaterHCID 6115AnilineHCID 13387N-methyl-2-pyrrolidoneHCID 23938PalladiumHCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 750143-Chloro-2-fluoroanilineHCID 104967Cesium cationHCID 41008604-Butylphenylboronic acid

Product 2

HCID 313Hydrochloric AcidHCID 68685112HCID 68685112, compound

Sources & evidence

ORD record
ord-c02325895c454e59823d8756b2acc5ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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