Hydrochloric Acid → Hydrochloric Acid

HRID 1219196Notes

Reaction equation

HRID 1219196 reaction equation
[Br:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:33][cH:34]1.[C:39](=[O:40])([OH:41])[O-:42].[CH3:51][CH:52]([OH:53])[CH3:54].[ClH:44].[K+:43].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[C:10](=[CH:12][CH2:13][CH2:14][NH:15][CH3:16])[c:9]1[c:8]([cH:20][cH:19][cH:18][cH:17]1)[CH2:7][O:6]2>>[ClH:44].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[C:10](=[CH:12][CH2:13][CH2:14][N:15]([CH3:16])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:33][cH:34]1)[c:9]1[c:8]([cH:20][cH:19][cH:18][cH:17]1)[CH2:7][O:6]2

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 962WaterHCID 3776IsopropanolHCID 4535DemethyldoxepinHCID 6228DimethylformamideHCID 14677739HCID 14677739, compound

Product 2

HCID 313Hydrochloric AcidHCID 70389089HCID 70389089, compound

Sources & evidence

ORD record
ord-33ae55ff119a4bb4bd5cc1e231c229b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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