Acetone → HCID 10075395, compound

HRID 1225011Notes

Reaction equation

HRID 1225011 reaction equation
[C:27](=[O:28])([OH:29])[O-:30].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:45][C:46](=[O:47])[CH3:48].[N+:32](=[O:33])([O-:34])[c:35]1[cH:36][cH:37][c:38]([C:39](=[O:40])[Cl:41])[cH:42][cH:43]1.[Na+:31].[OH2:44]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[O:16][C:39]([c:38]2[cH:37][cH:36][c:35]([N+:32](=[O:33])[O-:34])[cH:43][cH:42]2)=[O:40])[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 85024-Nitrobenzoyl chlorideHCID 11068728Desacetyl Diltiazem

Product 1

HCID 10075395HCID 10075395, compound

Sources & evidence

ORD record
ord-e7c1200a38af4cbe835c9c31a88ddb5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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