Hydrochloric Acid → 2-Cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethanesulfonic acid thiazol-2-ylamide

HRID 159372Notes

Reaction equation

HRID 159372 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:13][S:14](=[O:15])(=[O:16])[c:17]1[cH:18][cH:19][c:20]([CH2:23][S:24](=[O:25])(=[O:26])[NH:27][c:28]2[s:29][cH:30][cH:31][n:32]2)[cH:21][cH:22]1.[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[C:53]1=[O:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:33]1([CH2:38][I:39])[CH2:34][CH2:35][CH2:36][CH2:37]1.[ClH:40]>>[CH3:13][S:14](=[O:15])(=[O:16])[c:17]1[cH:18][cH:19][c:20]([CH:23]([S:24](=[O:25])(=[O:26])[NH:27][c:28]2[s:29][cH:30][cH:31][n:32]2)[CH2:38][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37]2)[cH:21][cH:22]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 2762531(Iodomethyl)cyclopentaneHCID 86602239C-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-methanesulfonamideHCID 178418339Butyllithium

Product 1

HCID 115098872-Cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethanesulfonic acid thiazol-2-ylamide

Sources & evidence

ORD record
ord-95873785b6b44088b7c7e834e5954348
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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