1,2-Dichloroethane → 2-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)phenylmethyl]-acetamide

HRID 683682Notes

Reaction equation

HRID 683682 reaction equation
[CH2:44]([Cl:45])[CH2:46][Cl:47].[Cl-:50].[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]([CH2:18][C:19](=[O:20])[OH:21])[c:11](=[O:17])[n:12]2[CH2:13][CH:14]([CH3:15])[CH3:16])[s:4][cH:5][c:6]1[CH3:7].[ClH:48].[F:22][C:23]([c:24]1[c:25]([CH2:26][NH2:27])[cH:28][cH:29][cH:30][cH:31]1)([F:32])[F:33].[Na+:49].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:51].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]([CH2:18][C:19](=[O:21])[NH:27][CH2:26][c:25]3[c:24]([C:23]([F:22])([F:32])[F:33])[cH:31][cH:30][cH:29][cH:28]3)[c:11](=[O:17])[n:12]2[CH2:13][CH:14]([CH3:15])[CH3:16])[s:4][cH:5][c:6]1[CH3:7]

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 764472-(Trifluoromethyl)benzylamineHCID 580120612-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acid

Product 1

HCID 580119492-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)phenylmethyl]-acetamide

Sources & evidence

ORD record
ord-ae1d98cbf3e84081be0702afab3a74ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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