Hydrochloric Acid → Hydrochloric Acid

HRID 2324525Notes

Reaction equation

HRID 2324525 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:40])[CH2:41][O:4][S:5](=[O:6])(=[O:7])[c:8]1[cH:9][c:10](-[c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22](-[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]3)[cH:19]2)[cH:11][cH:12][cH:13]1.[ClH:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[ClH:42].[O:4]=[S:5](=[O:6])([OH:7])[c:8]1[cH:9][c:10](-[c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22](-[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]3)[cH:19]2)[cH:11][cH:12][cH:13]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 574688403-{4-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonic acid 2,2-dimethyl-propyl ester

Product 2

HCID 313Hydrochloric AcidHCID 574688423-[4-[4-(Trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyridin-2-yl]benzenesulfonic acid

Sources & evidence

ORD record
ord-8553f6330b1440a4afd5f23d614bad15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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