Phosphate → 2,2,2-Trichloroethyl 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

HRID 2128794Notes

Reaction equation

HRID 2128794 reaction equation
[Br:11][CH2:12][C:13]1([CH3:39])[S:14][CH:15]2[N:16]([CH:17]1[C:18](=[O:19])[O:20][CH2:21][C:22]([Cl:23])([Cl:24])[Cl:25])[C:26](=[O:38])[CH:27]2[NH:28][C:29]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:37].[O-:40][P:41](=[O:42])([O-:43])[O-:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[s:1]1[c:2]([SH:10])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([S:10][CH2:12][C:13]2([CH3:39])[S:14][CH:15]3[N:16]([CH:17]2[C:18](=[O:19])[O:20][CH2:21][C:22]([Cl:23])([Cl:24])[Cl:25])[C:26](=[O:38])[CH:27]3[NH:28][C:29]([CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

5

Reactant 4

HCID 1061PhosphateHCID 312751,4-DioxaneHCID 12895259HCID 12895259, compoundHCID 178418395HCID 178418395, compound

Product 1

HCID 233459462,2,2-Trichloroethyl 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Sources & evidence

ORD record
ord-ca49c93ed85249189e48842fc50b8d18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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