Formaldehyde → 2-(2-(3-azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

HRID 2129412Notes

Reaction equation

HRID 2129412 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:51](=[O:52])([O-:53])[O-:54].[CH2:35]=[O:36].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][CH2:6][C:7]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[S:8][C:9]([c:21]2[c:22]([F:28])[cH:23][cH:24][c:25]([F:27])[cH:26]2)=[N:10][N:11]1[c:12]1[s:13][c:14]2[c:19]([n:20]1)[CH2:18][CH2:17][NH:16][CH2:15]2.[Na+:50].[Na+:55].[Na+:56]>>[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][CH2:6][C:7]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[S:8][C:9]([c:21]2[c:22]([F:28])[cH:23][cH:24][c:25]([F:27])[cH:26]2)=[N:10][N:11]1[c:12]1[s:13][c:14]2[c:19]([n:20]1)[CH2:18][CH2:17][N:16]([CH3:37])[CH2:15]2

Participants

6

Reactant 5

HCID 712FormaldehydeHCID 923Sodium ion3×HCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 866087722-(2-(3-azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

Product 1

HCID 866087732-(2-(3-azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

Sources & evidence

ORD record
ord-0cadd18db03c46edbbd7216a8477c469
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…