Hydrochloric Acid → 3-[4-[4,5-bis(4-chlorophenyl)-1-[4-(1,1-dioxothian-4-yl)piperazine-1-carbonyl]-4,5-dimethylimidazol-2-yl]-3-ethoxyphenyl]-3-methylbutan-2-one

HRID 687804Notes

Reaction equation

HRID 687804 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:39])[N:9]=[C:10]([c:24]3[c:25]([O:36][CH2:37][CH3:38])[cH:26][c:27]([C:30]([C:31]([CH3:32])=[O:33])([CH3:34])[CH3:35])[cH:28][cH:29]3)[N:11]([C:21](=[O:22])[Cl:23])[C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1.[ClH:40].[ClH:41].[O:42]=[S:43]1(=[O:55])[CH2:44][CH2:45][CH:46]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[CH2:47][CH2:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:39])[N:9]=[C:10]([c:24]3[c:25]([O:36][CH2:37][CH3:38])[cH:26][c:27]([C:30]([C:31]([CH3:32])=[O:33])([CH3:34])[CH3:35])[cH:28][cH:29]3)[N:11]([C:21](=[O:22])[N:52]3[CH2:51][CH2:50][N:49]([CH:46]4[CH2:45][CH2:44][S:43](=[O:42])(=[O:55])[CH2:48][CH2:47]4)[CH2:54][CH2:53]3)[C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 313Hydrochloric Acid2×HCID 467858481-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperazineHCID 72455723rac-(4S*,5R*)-4,5-Bis-(4-chloro-phenyl)-2-[4-(1,1-dimethyl-2-oxo-propyl)-2-ethoxy-phenyl]-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride

Product 1

HCID 1784662963-[4-[4,5-bis(4-chlorophenyl)-1-[4-(1,1-dioxothian-4-yl)piperazine-1-carbonyl]-4,5-dimethylimidazol-2-yl]-3-ethoxyphenyl]-3-methylbutan-2-one

Sources & evidence

ORD record
ord-5ebab4e23c264e84a60ab342675bd353
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…