Acetate → Hydrochloric Acid

HRID 2329070Notes

Reaction equation

HRID 2329070 reaction equation
[CH3:22][C:23](=[O:24])[O-:25].[ClH:26].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]([N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:10][cH:11][cH:12]1)(=[O:19])=[O:20].[K+:21].[N:27]12[CH2:28][CH:29]([NH:35][C:36](=[O:37])[c:38]3[o:39][c:40]4[c:41]([cH:42]3)[cH:43][cH:44][cH:45][c:46]4[Br:47])[CH:30]([CH2:31][CH2:32]1)[CH2:33][CH2:34]2.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[ClH:26].[c:7]1(-[c:46]2[c:40]3[o:39][c:38]([C:36]([NH:35][CH:29]4[CH2:28][N:27]5[CH2:32][CH2:31][CH:30]4[CH2:33][CH2:34]5)=[O:37])[cH:42][c:41]3[cH:43][cH:44][cH:45]2)[cH:8][c:9]([N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:10][cH:11][cH:12]1

Participants

10

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 17982656N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzofuran-2-carboxamideHCID 179826773-Morpholin-4-ylphenyl trifluoromethanesulfonate

Product 2

HCID 313Hydrochloric AcidHCID 17982848HCID 17982848, compound

Sources & evidence

ORD record
ord-ea26b015d4454a5abff5c5e6f13eabd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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