Sodium ion → HCID 15895136, compound

HRID 1138766Notes

Reaction equation

HRID 1138766 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[Cs+:26].[Cs+:27].[F:1][C:2]([CH2:3][n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2)([F:20])[F:21].[H-:28].[Na+:29].[O:30]=[S:31]1(=[O:47])[N:32]([CH2:42][CH2:43][CH2:44][CH2:45][Br:46])[C:33](=[O:41])[c:34]2[c:35]1[cH:36][cH:37][c:38]([Cl:40])[cH:39]2>>[F:1][C:2]([CH2:3][n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][N:16]([CH2:45][CH2:44][CH2:43][CH2:42][N:32]3[S:31](=[O:30])(=[O:47])[c:35]4[c:34]([cH:39][c:38]([Cl:40])[cH:37][cH:36]4)[C:33]3=[O:41])[CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2)([F:20])[F:21]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 166653HydrideHCID 133659801,2-Benzisothiazol-3(2H)-one, 2-(4-bromobutyl)-5-chloro-, 1,1-dioxideHCID 186959501,3-Dihydro-1-(4-piperidinyl)-3-(2,2,2-trifluoroethyl)-2H-benzimidazol-2-one

Product 1

HCID 15895136HCID 15895136, compound

Sources & evidence

ORD record
ord-bf35d00822b749d3aba404dac0251eac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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