Hydrochloric Acid → Hydrochloric Acid

HRID 2160823Notes

Reaction equation

HRID 2160823 reaction equation
[Br:3][c:4]1[cH:5][c:6]([O:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:7]([NH:10][c:11]2[s:12][cH:13][c:14]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[n:15]2)[n:8][cH:9]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37](=[O:38])[O:39][C:40](=[O:41])[CH3:42].[ClH:1].[ClH:2].[ClH:48].[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[Br:3][c:4]1[cH:5][c:6]([O:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:7]([NH:10][c:11]2[s:12][cH:13][c:14]([CH:16]3[CH2:17][CH2:18][N:19]([C:37]([CH3:36])=[O:38])[CH2:20][CH2:21]3)[n:15]2)[n:8][cH:9]1.[ClH:1]

Participants

9

Reactant 7

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 57742674HCID 57742674, compound

Product 2

HCID 313Hydrochloric AcidHCID 249445171-(4-(2-(5-Bromo-3-phenoxypyridin-2-ylamino)thiazol-4-yl)piperidin-1-yl)ethanone

Sources & evidence

ORD record
ord-eead4201c06e4f8e8b5971adfb2bf336
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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