Acetic Acid → {2-[(3-Aminopyridin-2-yl)amino]phenyl}(4-chlorophenyl)methanone

HRID 2316143Notes

Reaction equation

HRID 2316143 reaction equation
[C:28]([O:29][CH2:30][CH3:31])(=[O:32])[CH3:33].[C:35]([OH:36])(=[O:37])[CH3:38].[CH3:26][OH:27].[Cl-:40].[Cl-:41].[Cl-:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([NH:16][c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[N+:23]([O-:24])=[O:25])[cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[OH2:34].[OH2:39].[Ti+3:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([NH:16][c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[NH2:23])[cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 312Chloride3×HCID 887MethanolHCID 962Water2×HCID 8857Ethyl AcetateHCID 5153393TiIIIHCID 13388387(4-Chlorophenyl){2-[(3-nitropyridin-2-yl)amino]phenyl}methanone

Product 1

HCID 13388390{2-[(3-Aminopyridin-2-yl)amino]phenyl}(4-chlorophenyl)methanone

Sources & evidence

ORD record
ord-1d17cd6181274f13adebfae524166314
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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