Acetone → (4-Methoxyphenyl)methyl 2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate

HRID 116466Notes

Reaction equation

HRID 116466 reaction equation
[CH3:64][C:65](=[O:66])[CH3:67].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:43])[N:14]([CH:27]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[C:40](=[CH2:41])[CH3:42])[CH:15]1[S:16][S:17][c:18]1[s:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26]1.[OH2:63].[c:44]1([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:45][cH:46][cH:47][cH:48][cH:49]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:43])[N:14]([CH:27]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[C:40](=[CH2:41])[CH3:42])[CH:15]1[S:52][S:50]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)(=[O:51])=[O:62]

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 20141910(4-Methoxyphenyl)methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoateHCID 538877081,3-Benzothiazol-2-yloxy-oxo-phenyl-sulfanylidene-lambda6-sulfane

Product 1

HCID 14365932(4-Methoxyphenyl)methyl 2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate

Sources & evidence

ORD record
ord-28b77bca59c448218c059b3950864490
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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