Acetone → HCID 13530986, compound

HRID 148036Notes

Reaction equation

HRID 148036 reaction equation
[CH3:58][C:59](=[O:60])[CH3:61].[N+:35](=[O:36])([O-:37])[c:38]1[c:39]([S:44](=[O:45])([O:46][c:47]2[s:48][c:49]3[cH:50][cH:51][cH:52][cH:53][c:54]3[n:55]2)=[S:56])[cH:40][cH:41][cH:42][cH:43]1.[OH2:57].[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:34])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH3:30])[C:31](=[CH2:32])[CH3:33])[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:34])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH3:30])[C:31](=[CH2:32])[CH3:33])[CH:14]2[S:46][S:44]([c:39]2[c:38]([N+:35](=[O:36])[O-:37])[cH:43][cH:42][cH:41][cH:40]2)(=[O:45])=[O:56])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 12293966Methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoateHCID 54066955HCID 54066955, compound

Product 1

HCID 13530986HCID 13530986, compound

Sources & evidence

ORD record
ord-7a9d74df80d84a62becb3e46e55918f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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