Formamide → 2,2,2-Trichloroethyl 3-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

HRID 2332208Notes

Reaction equation

HRID 2332208 reaction equation
[Br:13][CH2:14][C:15]1([CH3:41])[S:16][CH:17]2[N:18]([CH:19]1[C:20](=[O:21])[O:22][CH2:23][C:24]([Cl:25])([Cl:26])[Cl:27])[C:28](=[O:40])[CH:29]2[NH:30][C:31]([CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39].[C:8](=[O:9])([OH:10])[O-:11].[CH3:1][c:2]1[n:3][n:4][c:5]([SH:7])[s:6]1.[CH:43]([NH2:44])=[O:45].[Na+:12].[OH2:42]>>[CH3:1][c:2]1[n:3][n:4][c:5]([S:7][CH2:14][C:15]2([CH3:41])[S:16][CH:17]3[N:18]([CH:19]2[C:20](=[O:21])[O:22][CH2:23][C:24]([Cl:25])([Cl:26])[Cl:27])[C:28](=[O:40])[CH:29]3[NH:30][C:31]([CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)=[O:39])[s:6]1

Participants

7

Reactant 6

HCID 713FormamideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 12895259HCID 12895259, compoundHCID 178434161HCID 178434161, compound

Product 1

HCID 233459742,2,2-Trichloroethyl 3-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Sources & evidence

ORD record
ord-61c1fad3ac874dd5869f881c21e8fcc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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