Hydrochloric Acid → 2-[(4-{2-[Benzyl(hexyl)amino]-2-oxoethyl}-2-methoxyphenoxy)methyl]benzoic acid

HRID 183048

Reaction equation

HRID 183048 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH2:10][c:11]1[cH:12][c:13]([O:29][CH3:30])[c:14]([O:15][CH2:16][c:17]2[c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1)=[O:31])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[ClH:40].[Li+:38].[OH-:39].[OH2:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH2:10][c:11]1[cH:12][c:13]([O:29][CH3:30])[c:14]([O:15][CH2:16][c:17]2[c:18]([C:19](=[O:20])[OH:21])[cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1)=[O:31])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68870229Methyl 2-[(4-{2-[benzyl(hexyl)amino]-2-oxoethyl}-2-methoxyphenoxy)methyl]benzoate

Product 1

HCID 104806922-[(4-{2-[Benzyl(hexyl)amino]-2-oxoethyl}-2-methoxyphenoxy)methyl]benzoic acid

Sources & evidence

ORD record
ord-667306d4ace6485c96ab4e0092b17fe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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