Acetone → HCID 178447465, compound

HRID 1218105Notes

Reaction equation

HRID 1218105 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:45][C:46]([CH3:47])=[O:48].[Cl:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cs+:34].[Cs+:35].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:44].[OH:1][CH:2]1[C:3]([CH3:28])([CH3:29])[CH:4]2[CH2:5][CH2:6][C:7]3=[C:22]([CH2:21][CH2:20][C:19]4([CH3:27])[C:8]3=[CH:9][CH2:10][CH:11]4[CH:12]([CH2:13][CH2:14][C:15](=[O:16])[OH:17])[CH3:18])[C:23]2([CH3:26])[CH2:24][CH2:25]1>>[OH:1][CH:2]1[C:3]([CH3:28])([CH3:29])[CH:4]2[CH2:5][CH2:6][C:7]3=[C:22]([CH2:21][CH2:20][C:19]4([CH3:27])[C:8]3=[CH:9][CH2:10][CH:11]4[CH:12]([CH2:13][CH2:14][C:15]([O:16][CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)=[O:17])[CH3:18])[C:23]2([CH3:26])[CH2:24][CH2:25]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 962WaterHCID 6228DimethylformamideHCID 7503Benzyl ChlorideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 178447428HCID 178447428, compound

Product 1

HCID 178447465HCID 178447465, compound

Sources & evidence

ORD record
ord-0bb4b6ebb1b14695b7c1011f3417e07c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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