Acetone → HCID 178469024, compound

HRID 1149278Notes

Reaction equation

HRID 1149278 reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[C:29]([CH:30]([CH:31]([C:32]([OH:33])=[O:34])[OH:35])[OH:36])([OH:37])=[O:38].[CH3:50][C:51](=[O:52])[CH3:53].[I-:28].[K+:25].[K+:26].[K+:27].[NH:39]1[CH2:40][CH:41]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[CH2:42][CH2:43][CH2:44]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[CH:16][O:17][CH2:18][CH2:19][Br:20]>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[CH:16][O:17][CH2:18][CH2:19][N:39]1[CH2:40][CH:41]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[CH2:42][CH2:43][CH2:44]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation3×HCID 8752,3-Dihydroxybutanedioic AcidHCID 19660Carbonate IonHCID 30165Iodide IonHCID 98969Ethyl nipecotateHCID 109695372-((10, 11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)methoxy)ethylbromide

Product 1

HCID 178469024HCID 178469024, compound

Sources & evidence

ORD record
ord-ffab995315ea4fccbf89cba883d990fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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