Acetone → HCID 10190074, compound

HRID 2161515Notes

Reaction equation

HRID 2161515 reaction equation
[Br:40][CH2:41][CH2:42][CH2:43][C:44](=[O:45])[O:46][CH2:47][CH3:48].[C:49](=[O:50])([O-:51])[O-:52].[CH3:1][N:2]([C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)=[O:10])[CH2:11][CH:12]([CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH:18]([C:21](=[O:22])[c:23]2[n:24][c:25]3[c:26]([nH:27]2)[cH:28][cH:29][cH:30][cH:31]3)[CH2:19][CH2:20]1)[c:32]1[cH:33][c:34]([Cl:39])[c:35]([Cl:38])[cH:36][cH:37]1.[CH3:56][C:57]([CH3:58])=[O:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[K+:53].[K+:54].[OH2:55]>>[CH3:1][N:2]([C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)=[O:10])[CH2:11][CH:12]([CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH:18]([C:21](=[O:22])[c:23]2[n:24]([CH2:41][CH2:42][CH2:43][C:44](=[O:45])[O:46][CH2:47][CH3:48])[c:25]3[c:26]([n:27]2)[cH:28][cH:29][cH:30][cH:31]3)[CH2:19][CH2:20]1)[c:32]1[cH:33][c:34]([Cl:39])[c:35]([Cl:38])[cH:36][cH:37]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 76300Ethyl 4-bromobutyrateHCID 10187951HCID 10187951, compound

Product 1

HCID 10190074HCID 10190074, compound

Sources & evidence

ORD record
ord-ed0e6cfb54534b5a8de10d486222fd55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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