Acetone → HCID 66990889, compound

HRID 2345300Notes

Reaction equation

HRID 2345300 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[C:53](=[O:54])([OH:55])[O-:56].[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][c:21]1[c:22]([C:23](=[O:24])[NH:25][c:26]2[c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36][c:37](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:38]2)[cH:45][cH:46][c:47]([O:49][CH2:50][CH2:51][Br:52])[cH:48]1.[CH2:7]1[CH2:8][O:9][CH2:10][CH2:11][NH:12]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:65][C:66](=[O:67])[CH3:68].[K+:5].[K+:6].[Na+:57].[OH2:64]>>[CH2:7]1[CH2:8][O:9][CH2:10][CH2:11][N:12]1[CH2:51][CH2:50][O:49][c:47]1[cH:46][cH:45][c:22]([C:23](=[O:24])[NH:25][c:26]2[c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36][c:37](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:38]2)[c:21]([O:20][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:48]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 66990569HCID 66990569, compound

Product 1

HCID 66990889HCID 66990889, compound

Sources & evidence

ORD record
ord-1fe9ff1996a64a88be26230202ca87ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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