1,2-Dichloroethane → HCID 67067364, compound

HRID 1118125Notes

Reaction equation

HRID 1118125 reaction equation
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:47][O:48][C:49]([CH2:50][NH2:51])([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[O:58][CH3:59].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cl:22][CH2:23][CH2:24][CH2:25][C:26]([C:27](=[O:28])[OH:29])=[CH:30][c:31]1[cH:32][c:33]([O:43][CH3:44])[c:34](-[n:37]2[cH:38][n:39][c:40]([CH3:42])[cH:41]2)[cH:35][cH:36]1.[ClH:45].[ClH:46].[F:15][C:16]([F:17])([F:18])[C:19]([OH:20])=[O:21].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:5][n:6]1[c:7]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[n:13][n:14]1>>[Cl:22][CH2:23][CH2:24][CH2:25][C:26]([C:27](=[O:28])[O:29][CH2:50][C:49]([O:48][CH3:47])([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[O:58][CH3:59])=[CH:30][c:31]1[cH:32][c:33]([O:43][CH3:44])[c:34](-[n:37]2[cH:38][n:39][c:40]([CH3:42])[cH:41]2)[cH:35][cH:36]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 10442338HCID 10442338, compoundHCID 668396445-Chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid

Product 1

HCID 67067364HCID 67067364, compound

Sources & evidence

ORD record
ord-af73f5d908ec4f329e9593967d9ba972
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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