Potassium Cation → Tert-butyl 4-[2-[[2-[(2,6-dichlorobenzoyl)oxymethyl]-4-ethoxy-1,1,3-trioxo-1,2-benzothiazol-6-yl]oxy]acetyl]piperazine-1-carboxylate

HRID 198937Notes

Reaction equation

HRID 198937 reaction equation
[Br:40][CH2:41][C:42](=[O:43])[N:44]1[CH2:45][CH2:46][N:47]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:48][CH2:49]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][N:8]2[S:9](=[O:10])(=[O:11])[c:12]3[cH:13][c:14]([OH:23])[cH:15][c:16]([O:20][CH2:21][CH3:22])[c:17]3[C:18]2=[O:19])[c:24]([Cl:28])[cH:25][cH:26][cH:27]1.[K+:29].[K+:30].[O-:31][C:32]([O-:33])=[O:34].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][N:8]2[S:9](=[O:10])(=[O:11])[c:12]3[cH:13][c:14]([O:23][CH2:41][C:42](=[O:43])[N:44]4[CH2:45][CH2:46][N:47]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:48][CH2:49]4)[cH:15][c:16]([O:20][CH2:21][CH3:22])[c:17]3[C:18]2=[O:19])[c:24]([Cl:28])[cH:25][cH:26][cH:27]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 15829155tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylateHCID 70044525(4-Ethoxy-6-hydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 2,6-dichlorobenzoate

Product 1

HCID 86747797Tert-butyl 4-[2-[[2-[(2,6-dichlorobenzoyl)oxymethyl]-4-ethoxy-1,1,3-trioxo-1,2-benzothiazol-6-yl]oxy]acetyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-c4e1251cc4fe45beb5db3c5a86b633b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…