Acetonitrile → Hydrochloric Acid

HRID 701914Notes

Reaction equation

HRID 701914 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[C:39](#[N:40])[CH3:41].[CH3:1][O:2][c:3]1[c:4]([OH:23])[cH:5][cH:6][c:7]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:8]1.[CH3:30][N:31]([C:32](=[O:33])[Cl:34])[CH3:35].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:36][CH2:37][Cl:38].[Cs+:28].[Cs+:29]>>[CH3:1][O:2][c:3]1[c:4]([O:23][C:32]([N:31]([CH3:30])[CH3:35])=[O:33])[cH:5][cH:6][c:7]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:8]1.[ClH:34]

Participants

9

Reactant 7

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6598Dimethylcarbamoyl ChlorideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 18403905HCID 18403905, compound

Product 2

HCID 313Hydrochloric AcidHCID 18403802HCID 18403802, compound

Sources & evidence

ORD record
ord-529ffb7adf064c0896bea010da7c44c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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