Hydrochloric Acid → 4-chloro-N-[4-(5-hydroxymethyl-[1,2,4]oxadiazol-3-yl)-benzyl]-N-(2-oxo-azepan-3-yl)-benzenesulfonamide

HRID 802427Notes

Reaction equation

HRID 802427 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[C:13](=[O:19])[NH:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[n:28][o:29][c:30]([CH2:32][O:33][C:34](=[O:35])[CH3:36])[n:31]3)[cH:25][cH:26]2)[cH:6][cH:7]1.[ClH:40].[Na+:38].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:37].[OH2:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[C:13](=[O:19])[NH:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[n:28][o:29][c:30]([CH2:32][OH:33])[n:31]3)[cH:25][cH:26]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 69489530Acetic acid 3-(4-{[(4-chloro-benzenesulfonyl)-(2-oxo-azepan-3-yl)-amino]-methyl}-phenyl)-[1,2,4]oxadiazol-5-ylmethyl ester

Product 1

HCID 694924154-chloro-N-[4-(5-hydroxymethyl-[1,2,4]oxadiazol-3-yl)-benzyl]-N-(2-oxo-azepan-3-yl)-benzenesulfonamide

Sources & evidence

ORD record
ord-a8d8650037d946b7b2cad3ea3c79bdb5
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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