Hydrochloric Acid → Hydrochloric Acid

HRID 2312075Notes

Reaction equation

HRID 2312075 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][C:16]([NH:17][c:18]2[s:19][c:20]3[c:21]([n:22]2)[cH:23][cH:24][c:25]([O:27][S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([NH:37][CH2:38][C:39]([CH3:40])([CH3:41])[OH:42])[cH:35][cH:36]2)[cH:26]3)=[O:43])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[ClH:44].[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][C:16]([NH:17][c:18]2[s:19][c:20]3[c:21]([n:22]2)[cH:23][cH:24][c:25]([O:27][S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([NH:37][CH2:38][C:39]([CH3:40])([CH3:41])[OH:42])[cH:35][cH:36]2)[cH:26]3)=[O:43])[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 579808274-(2-{6-[4-(2-Hydroxy-2-methylpropylamino)-benzenesulfonyloxy]benzothiazol-2-ylcarbamoyl}ethyl)piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 57980832[2-(3-Piperidin-4-ylpropanoylamino)-1,3-benzothiazol-6-yl] 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonate

Sources & evidence

ORD record
ord-a0a6888666594c86a6e096b9f9da4c12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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