Acetone → HCID 10186152, compound

HRID 299426Notes

Reaction equation

HRID 299426 reaction equation
[CH3:76][C:77](=[O:78])[CH3:79].[CH:39]([CH3:40])([CH3:41])[NH:42][c:43]1[cH:44][c:45]([O:49][c:50]2[cH:51][cH:52][c:53]3[n:54][c:55]([CH2:56][O:57][c:58]4[cH:59][cH:60][c:61]([CH2:62][CH:63]5[S:64][C:65](=[O:66])[NH:67][C:68]5=[O:69])[cH:70][cH:71]4)[n:72]([CH3:73])[c:74]3[cH:75]2)[cH:46][cH:47][cH:48]1.[ClH:1].[ClH:2].[ClH:37].[ClH:38].[NH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][cH:36]1>>[NH:3]([c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][cH:36]1)[CH:39]([CH3:40])[CH3:41]

Participants

5

Reactant 4

HCID 180AcetoneHCID 313Hydrochloric Acid4×HCID 9849435HCID 9849435, compoundHCID 865877695-[[4-[[6-(4-Aminophenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Product 1

HCID 10186152HCID 10186152, compound

Sources & evidence

ORD record
ord-33661b75351748e8937b345e7fa9313a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…