1,2-Dichloroethane → 5-chloro-2-(4-fluorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide

HRID 690837Notes

Reaction equation

HRID 690837 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH3:28][O:29][c:30]1[cH:31][c:32]([CH:42]=[CH:43][C:44](=[O:45])[OH:46])[cH:33][cH:34][c:35]1-[n:36]1[cH:37][n:38][c:39]([CH3:41])[cH:40]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:12][CH2:13][CH2:14][CH2:15][CH:16]([C:17](=[O:18])[NH:19][NH2:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1.[ClH:11].[Na+:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:47].[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:12][CH2:13][CH2:14][CH2:15][CH:16]([C:17](=[O:18])[NH:19][NH:20][C:44]([CH:43]=[CH:42][c:32]1[cH:31][c:30]([O:29][CH3:28])[c:35](-[n:36]2[cH:37][n:38][c:39]([CH3:41])[cH:40]2)[cH:34][cH:33]1)=[O:45])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 668395163-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acidHCID 670671875-Chloro-2-(4-fluorophenyl)pentanehydrazide

Product 1

HCID 772203205-chloro-2-(4-fluorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide

Sources & evidence

ORD record
ord-5e72c0cecac84b2a817f5bd742221753
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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