1,2-Dichloroethane → HCID 67067181, compound

HRID 1218900Notes

Reaction equation

HRID 1218900 reaction equation
[C:41]([NH:42][NH2:43])(=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[C:51](=[O:52])([OH:53])[O-:54].[CH2:67]([Cl:68])[CH2:69][Cl:70].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[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].[Na+:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:50].[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:43][NH:42][C:41](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[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

11

Reactant 10

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 70091tert-Butyl carbazateHCID 757711-HydroxybenzotriazoleHCID 668396445-Chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid

Product 1

HCID 67067181HCID 67067181, compound

Sources & evidence

ORD record
ord-94ac37d6d08844549437f64a8a602532
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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