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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-[3-(tri-fluoromethyl)phenylmethyl]-acetamide

HRID 199936
Notes
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Reaction equation

HRID 199936 reaction equation
[CH2:44]([Cl:45])[CH2:46][Cl:47].[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[cH:25][c:26]([CH2:27][NH2:28])[cH:29][cH:30][cH:31]1)([F:32])[F:33].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54].[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:28][CH2:27][c:26]3[cH:25][c:24]([C:23]([F:22])([F:32])[F:33])[cH:31][cH:30][cH:29]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]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 759623-(Trifluoromethyl)benzylamineHCID 58012061
2-[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 580119892-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[3-(tri-fluoromethyl)phenylmethyl]-acetamide

Sources & evidence

ORD record
ord-ae63499ace3d435c8a28b1d6f15b2bd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes