1,2-Dichloroethane → 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[1-(3,5-dichlorophenyl)-1-methylethyl]acetamide

HRID 177554Notes

Reaction equation

HRID 177554 reaction equation
[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][C:18](=[O:19])[OH:20])[c:11](=[O:16])[n:12]2[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1.[Cl:21][c:22]1[cH:23][c:24]([C:29]([CH3:30])([CH3:31])[NH2:32])[cH:25][c:26]([Cl:28])[cH:27]1.[ClH:47].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][C:18](=[O:19])[NH:32][C:29]([c:24]3[cH:23][c:22]([Cl:21])[cH:27][c:26]([Cl:28])[cH:25]3)([CH3:30])[CH3:31])[c:11](=[O:16])[n:12]2[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 111950522-(3,5-dichlorophenyl)propan-2-amineHCID 42632357[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acid

Product 1

HCID 580119402-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[1-(3,5-dichlorophenyl)-1-methylethyl]acetamide

Sources & evidence

ORD record
ord-40f5fc1b80d4442894a5f5ab332bddab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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