Hydrochloric Acid → Hydrochloric Acid

HRID 682694Notes

Reaction equation

HRID 682694 reaction equation
[ClH:39].[c:1]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:2]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([N:16]3[CH2:17][CH2:18][N:19]([CH:22]([C:23](=[O:24])[O:25][CH3:26])[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:20][CH2:21]3)[cH:14][cH:15]2)[cH:3][cH:4][cH:5][cH:6]1>>[ClH:39].[c:1]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:2]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([N:16]3[CH2:17][CH2:18][N:19]([CH:22]([C:23](=[O:24])[OH:25])[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:20][CH2:21]3)[cH:14][cH:15]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 22499399Methyl 4-[4-[([1,1'-biphenyl]-2-ylcarbonyl)amino]phenyl]-alpha-phenyl-1-piperazineacetate

Product 2

HCID 313Hydrochloric AcidHCID 179894622-Phenyl-2-[4-[4-[(2-phenylbenzoyl)amino]phenyl]piperazin-1-yl]acetic acid

Sources & evidence

ORD record
ord-f89ba98a1552486e99cc17b2b83b5eb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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