Acetone → HCID 25189209, compound

HRID 1146037Notes

Reaction equation

HRID 1146037 reaction equation
[Br:39][CH2:40][CH2:41][CH3:42].[C:33](=[O:34])([O-:35])[O-:36].[CH3:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([c:25]4[c:26]([CH3:32])[cH:27][cH:28][c:29]([CH3:31])[cH:30]4)[CH2:23][CH2:24]3)[NH:14][CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1.[Cs+:37].[Cs+:38].[OH2:43]>>[Cl:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([c:25]4[c:26]([CH3:32])[cH:27][cH:28][c:29]([CH3:31])[cH:30]4)[CH2:23][CH2:24]3)[N:14]([CH2:40][CH2:41][CH3:42])[CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 962WaterHCID 78401-BromopropaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 68729707HCID 68729707, compound

Product 1

HCID 25189209HCID 25189209, compound

Sources & evidence

ORD record
ord-cf85f3112ae24ef0aa2f0dde127c34cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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