Hydrochloric Acid → Hydrochloric Acid

HRID 2161979Notes

Reaction equation

HRID 2161979 reaction equation
[CH3:3][CH:4]([OH:5])[CH3:6].[ClH:40].[N:7]1([CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]([OH:39])[c:18]([C:19](=[O:20])[NH:21][c:22]3[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][c:30](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[cH:31]3)[cH:38]2)[CH2:8][CH2:9][CH2:10]1.[Na+:2].[OH-:1].[OH2:41]>>[ClH:40].[N:7]1([CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]([OH:39])[c:18]([C:19](=[O:20])[NH:21][c:22]3[c:23]([C:24](=[O:25])[OH:26])[cH:28][cH:29][c:30](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[cH:31]3)[cH:38]2)[CH2:8][CH2:9][CH2:10]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 58508869Methyl 2-(5-(2-(azetidin-1-yl)ethoxy)-2-hydroxybenzamido)-4-phenylbenzoate

Product 2

HCID 313Hydrochloric AcidHCID 585088632-[[5-[2-(Azetidin-1-yl)ethoxy]-2-hydroxybenzoyl]amino]-4-phenylbenzoic acid

Sources & evidence

ORD record
ord-985107876e9c4859994704dfc51b84af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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