Hydrochloric Acid → HCID 178463743, compound

HRID 1203134Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[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[CH2:23][N:24]([c:35]2[c:36]([F:45])[cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][c:43]2[F:44])[CH2:25][CH2:26][CH:27]1[c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1)([CH3:5])([CH3:6])[CH3:7].[ClH:52].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[NH: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[CH2:23][N:24]([c:35]2[c:36]([F:45])[cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][c:43]2[F:44])[CH2:25][CH2:26][CH:27]1[c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 1784357083,5-difluoro-4-[4-(2-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]piperidin-1-yl]benzoic acid

Product 1

HCID 178463743HCID 178463743, compound

Sources & evidence

ORD record: ord-6138a4641dcd4a2cbc4e2fe4f58ff500
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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