Acetone → HCID 22405074, compound

HRID 154479Notes

Reaction equation

HRID 154479 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:10](=[O:11])[NH:12][c:13]3[cH:14][cH:15][c:16]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][C:22](=[S:30])[NH:23][c:24]5[c:25]4[cH:26][cH:27][cH:28][cH:29]5)[cH:31][cH:32]3)[cH:33][cH:34][cH:35][cH:36]2)[cH:6][cH:7]1.[CH3:38][N:39]([CH2:40][CH2:41][CH2:42][Cl:43])[CH3:44].[CH3:53][C:54](=[O:55])[CH3:56].[ClH:37].[I-:52].[K+:49].[K+:50].[Na+:51]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:10](=[O:11])[NH:12][c:13]3[cH:14][cH:15][c:16]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][C:22]([S:30][CH2:42][CH2:41][CH2:40][N:39]([CH3:38])[CH3:44])=[N:23][c:24]5[c:25]4[cH:26][cH:27][cH:28][cH:29]5)[cH:31][cH:32]3)[cH:33][cH:34][cH:35][cH:36]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 19660Carbonate IonHCID 30165Iodide IonHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 57261969HCID 57261969, compound

Product 1

HCID 22405074HCID 22405074, compound

Sources & evidence

ORD record
ord-149b830aad9845f7b377cffc57596389
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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