Acetone → Chloride

HRID 149433Notes

Reaction equation

HRID 149433 reaction equation
[C:36]([C:37]([CH3:38])([CH3:39])[CH3:40])(=[O:41])[O:42][CH2:43][Cl:44].[CH3:45][C:46](=[O:47])[CH3:48].[F:1][c:2]1[c:3]([C:9]([CH:10]([CH3:11])[N:12]2[C:13](=[O:28])[N:14]([c:17]3[cH:18][cH:19][c:20](-[n:23]4[n:24][n:25][n:26][cH:27]4)[cH:21][cH:22]3)[CH2:15][CH2:16]2)([CH2:29][n:30]2[n:31][cH:32][n:33][cH:34]2)[OH:35])[cH:4][cH:5][c:6]([F:8])[cH:7]1>>[Cl-:44].[F:1][c:2]1[c:3]([C:9]([CH:10]([CH3:11])[N:12]2[C:13](=[O:28])[N:14]([c:17]3[cH:18][cH:19][c:20](-[n:23]4[n:24][n:25][n:26][cH:27]4)[cH:21][cH:22]3)[CH2:15][CH2:16]2)([CH2:29][n+:30]2[n:31][cH:32][n:33]([CH2:43][O:42][C:36]([C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[cH:34]2)[OH:35])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 87885Chloromethyl pivalateHCID 483301HCID 483301, compound

Product 2

HCID 312ChlorideHCID 178462672HCID 178462672, compound

Sources & evidence

ORD record
ord-705f7149bca74b4a8792d312d9994047
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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