Acetone → Hydrochloric Acid

HRID 110122Notes

Reaction equation

HRID 110122 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:37][C:38](=[O:39])[CH3:40].[CH:1]([CH3:2])([CH3:3])[N:4]([CH2:5][CH3:6])[CH:7]([CH3:8])[CH3:9].[Cl:47][CH2:48][Cl:49].[ClH:10].[NH2:11][CH2:12][CH:13]1[CH2:14][N:15]([c:18]2[c:19]3[c:20]([n:21][cH:22][c:23]2[Br:24])[nH:25][cH:26][c:27]3[NH:28][C:29]([c:30]2[cH:31][n:32][cH:33][cH:34][cH:35]2)=[O:36])[CH2:16][CH2:17]1.[Na+:45].[Na+:46].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH:1]([CH3:2])([CH3:3])[NH:11][CH2:12][CH:13]1[CH2:14][N:15]([c:18]2[c:19]3[c:20]([n:21][cH:22][c:23]2[Br:24])[nH:25][cH:26][c:27]3[NH:28][C:29]([c:30]2[cH:31][n:32][cH:33][cH:34][cH:35]2)=[O:36])[CH2:16][CH2:17]1.[ClH:10]

Participants

10

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 58195468HCID 58195468, compound

Product 2

HCID 313Hydrochloric AcidHCID 60205288HCID 60205288, compound

Sources & evidence

ORD record
ord-49fa41838a384f5b9302f5c5aee3d675
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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