1,2-Dichloroethane → 1-(4-(5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid

HRID 2329801Notes

Reaction equation

HRID 2329801 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:29][C:30](=[O:31])[OH:32].[CH3:54][OH:55].[Cl:56][CH2:57][CH2:58][Cl:59].[NH:33]1[CH2:34][CH:35]([C:37](=[O:38])[OH:39])[CH2:36]1.[Na+:53].[c:1]1(-[n:7]2[n:8][cH:9][c:10](-[c:16]3[n:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]4)[n:19][o:20]3)[c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[n:8][cH:9][c:10](-[c:16]3[n:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH2:25][N:33]5[CH2:34][CH:35]([C:37](=[O:38])[OH:39])[CH2:36]5)[cH:27][cH:28]4)[n:19][o:20]3)[c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 931923-azetidinecarboxylic AcidHCID 2724942TriacetoxyborohydrideHCID 866590404-(5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)benzaldehyde

Product 1

HCID 468359231-(4-(5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid

Sources & evidence

ORD record
ord-1ec718618fab42f9a181ceb21c94e445
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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