Hydrochloric Acid → HCID 178435700, compound

HRID 297733Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:24][N:25]([C:28](=[O:29])[NH:30][c:31]2[c:32]([Cl:41])[cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[CH2:26][CH2:27]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:56][OH:57].[ClH:55].[Na+:54].[OH-:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:24][N:25]([C:28](=[O:29])[NH:30][c:31]2[c:32]([Cl:41])[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:39][cH:40]2)[CH2:26][CH2:27]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 8028Tetrahydrofuran

HCID 178498189methyl 3-chloro-4-[[4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]-3-phenylpiperidine-1-carbonyl]amino]benzoate

Product 1

HCID 178435700HCID 178435700, compound

Sources & evidence

ORD record: ord-12e9b336b6054a958dc42559da0c9fd2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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