Potassium Cation → Tameridone

HRID 193359Notes

Reaction equation

HRID 193359 reaction equation
[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][n:4]1[cH:5][n:6][c:7]2[n:8]([CH3:16])[c:9](=[O:15])[n:10]([CH3:14])[c:11](=[O:13])[c:12]12.[I-:39].[K+:38].[NH:17]1[CH2:18][CH2:19][CH:20]([c:23]2[cH:24][nH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[CH2:21][CH2:22]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:40]>>[CH2:2]([CH2:3][n:4]1[cH:5][n:6][c:7]2[n:8]([CH3:16])[c:9](=[O:15])[n:10]([CH3:14])[c:11](=[O:13])[c:12]12)[N:17]1[CH2:18][CH2:19][CH:20]([c:23]2[cH:24][nH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[CH2:21][CH2:22]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 18827-(2-Chloroethyl)theophyllineHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 7022353-(4-Piperidinyl)-1H-indole

Product 1

HCID 71304Tameridone

Sources & evidence

ORD record
ord-fdbd7052731f41ddb2f7339a12c3075f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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