Hydrochloric Acid → Hydrochloric Acid

HRID 2317398Notes

Reaction equation

HRID 2317398 reaction equation
[C:33](=[O:34])([OH:35])[O-:36].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[Cl:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[ClH:40].[I-:39].[K+:38].[Na+:37].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:21].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:22][CH2:23][CH2:24][C:25](=[O:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 1140TolueneHCID 3283Diethyl EtherHCID 15723AzacyclonolHCID 30165Iodide IonHCID 2535334-Chlorobutyrophenone

Product 2

HCID 313Hydrochloric AcidHCID 10476845TERFENADINEKETODESTBUTYLANALOG

Sources & evidence

ORD record
ord-99208c86caaf4cada15449c6277ffa84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…