Acetic Acid → HCID 68929051, compound

HRID 2146800Notes

Reaction equation

[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:11]([cH:12][cH:13]1)[CH:10]([NH:14][C:15]([CH2:16][CH:17]([NH:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1)=[O:39])[CH2:9][CH2:8][CH2:7]2.[C:45]([OH:46])(=[O:47])[CH3:48].[CH2:40]([CH:41]([CH3:42])[CH3:43])[NH2:44]>>[CH:1]([CH3:2])([c:4]1[cH:5][c:6]2[c:11]([cH:12][cH:13]1)[CH:10]([NH:14][C:15]([CH2:16][CH:17]([NH:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1)=[O:39])[CH2:9][CH2:8][CH2:7]2)[NH:44][CH2:40][CH:41]([CH3:42])[CH3:43]

Participants

Reactant 3

HCID 176Acetic Acid

HCID 6558Isobutylamine

HCID 68929305N-(6-acetyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-3-(4-fluoro-phenyl)-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide

Product 1

HCID 68929051HCID 68929051, compound

Sources & evidence

ORD record: ord-9e236052566d45b48037bfd61cd117f2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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