Hydrochloric Acid → 5-[(3-Cyclopentylpropanoyl)(4-{[(4-phenoxybenzyl)amino]carbonyl}-benzyl)amino]-2-hydroxybenzoic acid

HRID 1127015Notes

Reaction equation

HRID 1127015 reaction equation
[CH3:49][CH2:50][OH:51].[CH:1]1([CH2:6][CH2:7][C:8](=[O:9])[N:10]([c:11]2[cH:12][c:13]3[c:14]([cH:22][cH:23]2)[O:15][C:16]([CH3:20])([CH3:21])[O:17][C:18]3=[O:19])[CH2:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([O:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:37][cH:38]3)[cH:46][cH:47]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:48]>>[CH:1]1([CH2:6][CH2:7][C:8](=[O:9])[N:10]([c:11]2[cH:12][c:13]([C:18](=[O:17])[OH:19])[c:14]([OH:15])[cH:22][cH:23]2)[CH2:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([O:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:37][cH:38]3)[cH:46][cH:47]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 702EthanolHCID 586936964-{[(3-cyclopentylpropanoyl)(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)amino]methyl}-N-(4-phenoxybenzyl)benzamide

Product 1

HCID 114788675-[(3-Cyclopentylpropanoyl)(4-{[(4-phenoxybenzyl)amino]carbonyl}-benzyl)amino]-2-hydroxybenzoic acid

Sources & evidence

ORD record
ord-21bd44a0c1274d9dac07a34303247bda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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