Hydrochloric Acid → HCID 67189185, compound

HRID 102662Notes

Reaction equation

[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][n:11]2[n:12][c:13]([NH:16][C:17]([CH:18]([CH2:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[c:25]3[cH:26][c:27]([Cl:35])[c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]3)=[O:36])[cH:14][cH:15]2)[cH:8][cH:9]1)=[O:37].[ClH:38].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:45]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][n:11]2[n:12][c:13]([NH:16][C:17]([CH:18]([CH2:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[c:25]3[cH:26][c:27]([Cl:35])[c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]3)=[O:36])[cH:14][cH:15]2)[cH:8][cH:9]1)[OH:37]

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 962Water

HCID 312751,4-Dioxane

HCID 67192358Methyl 4-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]methyl]benzoate

Product 1

HCID 67189185HCID 67189185, compound

Sources & evidence

ORD record: ord-71bee14f39cc4c53abb0432b56bd728f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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