Acetone → HCID 22066580, compound

HRID 190631Notes

Reaction equation

HRID 190631 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[S:9][c:10]3[c:11]([cH:17][cH:18][c:19]([CH2:21][O:22][C:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:20]3)[NH:12][C:13](=[O:16])[CH:14]2[OH:15])[cH:6][cH:7]1.[CH3:43][N:44]([CH2:45][CH2:46][Cl:47])[CH3:48].[CH3:55][C:56](=[O:57])[CH3:58].[ClH:42].[K+:53].[K+:54]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[S:9][c:10]3[c:11]([cH:17][cH:18][c:19]([CH2:21][O:22][C:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:20]3)[N:12]([CH2:46][CH2:45][N:44]([CH3:43])[CH3:48])[C:13](=[O:16])[CH:14]2[OH:15])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 79012-Chloro-N,N-dimethylethylamineHCID 19660Carbonate IonHCID 19042793HCID 19042793, compound

Product 1

HCID 22066580HCID 22066580, compound

Sources & evidence

ORD record
ord-268a077d880b436993b559faed749416
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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