Hydrochloric Acid → Hydrochloric Acid

HRID 141567Notes

Reaction equation

HRID 141567 reaction equation
[C:3](=[O:4])([CH3:5])[S:6][CH:7]1[C:8](=[CH:26][c:27]2[cH:28][n:29][n:30][n:31]2[CH2:32][CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:9][N:10]([CH:13]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18]2)[c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)[CH2:11][CH2:12]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:51][CH2:52][OH:53].[ClH:1].[ClH:2].[Na+:46].[OH:47][C:48](=[O:49])[O-:50]>>[ClH:1].[SH:6][CH:7]1[C:8](=[CH:26][c:27]2[cH:28][n:29][n:30][n:31]2[CH2:32][CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:9][N:10]([CH:13]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18]2)[c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)[CH2:11][CH2:12]1

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 74020333HCID 74020333, compound

Product 2

HCID 313Hydrochloric AcidHCID 74020438HCID 74020438, compound

Sources & evidence

ORD record
ord-df6dd7cb4b6b430e90369f8539aa397a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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