Tetrahydrofuran → [3-methyl-2-[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]phenyl]methyl methanesulfonate

HRID 282004Notes

Reaction equation

HRID 282004 reaction equation
[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([NH:12][C:13](=[NH:14])[c:15]1[s:16][c:17]([S:38][CH3:39])[c:18]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][c:25](-[c:29]3[c:30]([CH2:36][OH:37])[cH:31][cH:32][cH:33][c:34]3[CH3:35])[cH:26][cH:27][cH:28]2)[cH:19]1)=[O:40].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53]>>[CH3:1][S:2](=[O:4])(=[O:5])[O:37][CH2:36][c:30]1[c:29](-[c:25]2[cH:24][c:23]([S:20]([c:18]3[c:17]([S:38][CH3:39])[s:16][c:15]([C:13]([NH:12][C:11]([O:10][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:40])=[NH:14])[cH:19]3)(=[O:21])=[O:22])[cH:28][cH:27][cH:26]2)[c:34]([CH3:35])[cH:33][cH:32][cH:31]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 31297Methanesulfonyl chlorideHCID 145857676tert-butyl N-[4-[3-[2-(hydroxymethyl)-6-methylphenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

Product 1

HCID 145857637[3-methyl-2-[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]phenyl]methyl methanesulfonate

Sources & evidence

ORD record
ord-bc9cb599a1cf4513a9dc8b327b949b66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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