1,2-Dichloroethane → 5-chloro-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanamide

HRID 2155689Notes

Reaction equation

HRID 2155689 reaction equation
[C:52](=[O:53])([OH:54])[O-:55].[CH2:68]([Cl:69])[CH2:70][Cl:71].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cl:18][CH2:19][CH2:20][CH2:21][C:22]([C:23](=[O:24])[OH:25])=[CH:26][c:27]1[cH:28][c:29]([O:39][CH3:40])[c:30](-[n:33]2[cH:34][n:35][c:36]([CH3:38])[cH:37]2)[cH:31][cH:32]1.[F:11][C:12]([F:13])([F:14])[C:15]([OH:16])=[O:17].[F:41][c:42]1[cH:43][cH:44][c:45]2[c:49]([cH:50]1)[CH:48]([NH2:51])[CH2:47][CH2:46]2.[Na+:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[Cl:18][CH2:19][CH2:20][CH2:21][C:22]([C:23](=[O:25])[NH:51][CH:48]1[CH2:47][CH2:46][c:45]2[cH:44][cH:43][c:42]([F:41])[cH:50][c:49]21)=[CH:26][c:27]1[cH:28][c:29]([O:39][CH3:40])[c:30](-[n:33]2[cH:34][n:35][c:36]([CH3:38])[cH:37]2)[cH:31][cH:32]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 154081276-Fluoro-2,3-dihydro-1H-inden-1-amineHCID 668396445-Chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid

Product 1

HCID 772119805-chloro-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanamide

Sources & evidence

ORD record
ord-c5d914f633d245fba806b66c8b515fd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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