Dimethylformamide → 3-(4-Tert-butylphenyl)propynoic acid 3-fluoro-4-methanesulfonylamino-5-vinylbenzylamide

HRID 1570533Notes

Reaction equation

HRID 1570533 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][C:13](=[O:14])[OH:15])[cH:9][cH:10]1.[CH3:16][S:17](=[O:18])(=[O:19])[NH:20][c:21]1[c:22]([F:45])[cH:23][c:24]([CH2:29][NH:30][C:31]([NH:32][CH2:33][c:34]2[cH:35][cH:36][c:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[cH:42][cH:43]2)=[O:44])[cH:25][c:26]1[CH:27]=[CH2:28].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][C:13](=[O:15])[NH:30][CH2:29][c:24]2[cH:23][c:22]([F:45])[c:21]([NH:20][S:17]([CH3:16])(=[O:18])=[O:19])[c:26]([CH:27]=[CH2:28])[cH:25]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 113447013-(4-tert-butylphenyl)prop-2-ynoic AcidHCID 11852379N-{4-[3-(4-t-butyl-benzyl)-ureidomethyl]-2-fluoro-6-vinyl-phenyl}methanesulfonamide

Product 1

HCID 118525773-(4-Tert-butylphenyl)propynoic acid 3-fluoro-4-methanesulfonylamino-5-vinylbenzylamide

Sources & evidence

ORD record
ord-e097897118a546da981966131d0e18f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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