Chloride → {3-[5-(5-isopropyl-2,4-bis-methoxymethoxy-phenyl)-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propyl}-dimethylamine

HRID 1122958Notes

Reaction equation

HRID 1122958 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:39][N:40]([CH2:41][CH2:42][CH2:43][Cl:44])[CH3:45].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:28][CH2:29][O:30][CH3:31])[cH:6][c:7]([O:24][CH2:25][O:26][CH3:27])[c:8](-[c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[c:12](=[S:15])[nH:13][n:14]2)[cH:9]1.[Cl-:47].[ClH:38].[K+:36].[K+:37].[Na+:46]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:28][CH2:29][O:30][CH3:31])[cH:6][c:7]([O:24][CH2:25][O:26][CH3:27])[c:8](-[c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[c:12]([S:15][CH2:43][CH2:42][CH2:41][N:40]([CH3:39])[CH3:45])[n:13][n:14]2)[cH:9]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 598298385-(5-Isopropyl-2,4-bis-methoxymethoxy-phenyl)-4-(4-methoxy-phenyl)-2,4-dihydro-[1,2,4]triazol-3-thione

Product 1

HCID 59829887{3-[5-(5-isopropyl-2,4-bis-methoxymethoxy-phenyl)-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propyl}-dimethylamine

Sources & evidence

ORD record
ord-ad41b861cbe7454c860307c9f3dd0bd0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…