Acetone → HCID 14230187, compound

HRID 1116350Notes

Reaction equation

HRID 1116350 reaction equation
[C:43](=[O:44])([O-:45])[OH:46].[CH3:48][C:49](=[O:50])[CH3:51].[ClH:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:12]2[CH:13]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:14][N:15]([CH2:18][C:19](=[O:20])[NH:21][c:22]3[c:23]([Cl:29])[cH:24][cH:25][cH:26][c:27]3[Cl:28])[CH2:16][CH2:17]2)[c:35]2[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]2)[cH:6][cH:7]1.[Na+:47]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:12]2[CH:13]([C:30](=[O:31])[OH:32])[CH2:14][N:15]([CH2:18][C:19](=[O:20])[NH:21][c:22]3[c:23]([Cl:29])[cH:24][cH:25][cH:26][c:27]3[Cl:28])[CH2:16][CH2:17]2)[c:35]2[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 21295667HCID 21295667, compound

Product 1

HCID 14230187HCID 14230187, compound

Sources & evidence

ORD record
ord-2a350902cd13416ba02beaf3b4b23c77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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