Acetone → Benzyl 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate

HRID 320808Notes

Reaction equation

HRID 320808 reaction equation
[CH3:64][C:65](=[O:66])[CH3:67].[N+:41](=[O:42])([O-:43])[c:44]1[cH:45][cH:46][c:47]([S:50](=[O:51])([O:52][c:53]2[s:54][c:55]3[cH:56][cH:57][cH:58][cH:59][c:60]3[n:61]2)=[S:62])[cH:48][cH:49]1.[OH2:63].[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:40])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:37](=[CH2:38])[CH3:39])[CH:14]2[S:15][S:16][c:17]2[s:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[n:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:40])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:37](=[CH2:38])[CH3:39])[CH:14]2[S:52][S:50]([c:47]2[cH:46][cH:45][c:44]([N+:41](=[O:42])[O-:43])[cH:49][cH:48]2)(=[O:51])=[O:62])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 14165969Benzyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoateHCID 544094811,3-Benzothiazol-2-yloxy-(4-nitrophenyl)-oxo-sulfanylidene-lambda6-sulfane

Product 1

HCID 13530987Benzyl 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate

Sources & evidence

ORD record
ord-805b3bcd5f344440aef680e8e7705a77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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