Chloride → 3-Chloro-N-{4-[2-(2-hydroxy-3-oxo-4-morpholinyl)ethyl]-1,3-thiazol-2-yl}-2-methylbenzenesulfonamide

HRID 86544Notes

Reaction equation

HRID 86544 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl-:1].[Cl:2][CH:3]([Cl:4])[C:6](=[O:5])[OH:7].[Cl:8][CH:9]([C:10](=[O:11])[N:12]([CH2:13][CH2:14][OH:15])[CH2:16][CH2:17][c:18]1[n:19][c:20]([NH:23][S:24](=[O:25])(=[O:26])[c:27]2[c:28]([CH3:34])[c:29]([Cl:33])[cH:30][cH:31][cH:32]2)[s:21][cH:22]1)[Cl:35].[ClH:38].[K+:37].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH-:36].[OH2:56]>>[OH:5][CH:9]1[C:10](=[O:11])[N:12]([CH2:16][CH2:17][c:18]2[n:19][c:20]([NH:23][S:24](=[O:25])(=[O:26])[c:27]3[c:28]([CH3:34])[c:29]([Cl:33])[cH:30][cH:31][cH:32]3)[s:21][cH:22]2)[CH2:13][CH2:14][O:15]1

Participants

12

Reactant 11

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6597Dichloroacetic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 865949592,2-Dichloro-N-[2-(2-{[(3-chloro-2-methylphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)ethyl]-N-(2-hydroxyethyl)acetamide

Product 1

HCID 112474673-Chloro-N-{4-[2-(2-hydroxy-3-oxo-4-morpholinyl)ethyl]-1,3-thiazol-2-yl}-2-methylbenzenesulfonamide

Sources & evidence

ORD record
ord-9e70b31993e44e4596ca17c4f69cc9ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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