Acetone → HCID 59774900, compound

HRID 2346625Notes

Reaction equation

HRID 2346625 reaction equation
[CH2:36]([Al+:37][CH2:38][CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44].[CH3:45][C:46](=[O:47])[CH3:48].[Cl:66][CH2:67][Cl:68].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:32]([CH3:33])=[O:34])[n:11][c:12]3[cH:13][c:14]([CH2:18][n:19]4[n:20][n:21][c:22]([C:24]([CH2:25][CH3:26])([C:27]([F:28])([F:29])[F:30])[OH:31])[cH:23]4)[cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[H-:35].[Na+:64].[Na+:65].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[OH2:55].[OH2:56].[OH2:57].[OH2:58].[S:59]([O-:60])([O-:61])(=[O:62])=[O:63]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([CH:32]([CH3:33])[OH:34])[n:11][c:12]3[cH:13][c:14]([CH2:18][n:19]4[n:20][n:21][c:22]([C:24]([CH2:25][CH3:26])([C:27]([F:28])([F:29])[F:30])[OH:31])[cH:23]4)[cH:15][cH:16][c:17]23)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ion2×HCID 962Water10×HCID 1117Sulfate IonHCID 6344DichloromethaneHCID 166653HydrideHCID 16686348Bis(2-methylpropyl)alumanyliumHCID 59774914HCID 59774914, compound

Product 1

HCID 59774900HCID 59774900, compound

Sources & evidence

ORD record
ord-6ff9f502baf24aeb85a376666da3d2db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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