Acetone → HCID 13344329, compound

HRID 1147954Notes

Reaction equation

HRID 1147954 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[NH:13][C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:23][N:24]([CH2:25][CH2:26][CH2:27][Cl:28])[CH3:29].[CH3:36][C:37](=[O:38])[CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[ClH:22].[K+:34].[K+:35].[OH2:46]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[N:13]([CH2:27][CH2:26][CH2:25][N:24]([CH3:23])[CH3:29])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 3260419(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

Product 1

HCID 13344329HCID 13344329, compound

Sources & evidence

ORD record
ord-a838e4efd7d240cfb4960c50a4a879eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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