Ammonium → Hydrochloric Acid

HRID 690874Notes

Reaction equation

HRID 690874 reaction equation
[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:2][O:3][CH2:4][P+:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:30][O:31][C:32](=[O:33])[c:34]1[cH:35][cH:36][c:37]([CH:38]=[O:39])[cH:40][cH:41]1.[CH3:44][O:45][C:46]([c:47]1[cH:48][cH:49][c:50]([CH2:53][CH2:54][N:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[cH:51][cH:52]1)=[O:62].[CH3:70][OH:71].[Cl-:1].[Cl-:42].[K+:29].[NH4+:43].[Na+:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH-:63]>>[ClH:1].[O:45]=[C:46]([c:47]1[cH:48][cH:49][c:50]([CH2:53][CH2:54][N:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[cH:51][cH:52]1)[OH:62]

Participants

13

Reactant 11

HCID 223AmmoniumHCID 312Chloride2×HCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 15294Methyl 4-FormylbenzoateHCID 2723799(Methoxymethyl)triphenylphosphonium chlorideHCID 45749132-Methylpropan-2-olateHCID 666269524-(2-Azepan-1-ylethyl)benzoic acid methyl ester

Product 2

HCID 313Hydrochloric AcidHCID 579342144-[2-(Azepan-1-yl)ethyl]benzoic acid

Sources & evidence

ORD record
ord-ec62c51c716a4c59b4558a8365efe644
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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