Potassium Cation → {1-[2-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-hydroxy-ethyl]-piperidin-4-yl}-(4-methoxy-benzothiazol-2-yl)-methanone

HRID 2348395Notes

Reaction equation

HRID 2348395 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[n:9][c:10]([C:12](=[O:13])[CH:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1)[s:11]2.[Cl+3:33]([O-:34])([O-:35])([O-:36])[O-:37].[K+:43].[K+:44].[Li+:38].[O:20]1[CH:21]([c:23]2[cH:24][c:25]3[c:26]([cH:31][cH:32]2)[O:27][CH2:28][CH2:29][O:30]3)[CH2:22]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[n:9][c:10]([C:12](=[O:13])[CH:14]1[CH2:15][CH2:16][N:17]([CH2:22][CH:21]([OH:20])[c:23]3[cH:24][c:25]4[c:26]([cH:31][cH:32]3)[O:27][CH2:28][CH2:29][O:30]4)[CH2:18][CH2:19]1)[s:11]2

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 28486Lithium ionHCID 123351PerchlorateHCID 167813336-(Oxiran-2-yl)-2,3-dihydro-1,4-benzodioxineHCID 67315952(4-Methoxy-benzothiazol-2-yl)-piperidin-4-yl-methanone

Product 1

HCID 67316803{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-hydroxy-ethyl]-piperidin-4-yl}-(4-methoxy-benzothiazol-2-yl)-methanone

Sources & evidence

ORD record
ord-cc2a688add824905b11c8dfda99bcefa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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