Chloride → 5-{[6-Chloro-4,4-dimethyl-5-methoxy-2-hydroxy-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-phthalazin-1-one

HRID 959672Notes

Reaction equation

HRID 959672 reaction equation
[Cl-:37].[Cl-:38].[Cl-:39].[Cl-:40].[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1.[Cl:34][CH2:35][Cl:36].[NH2:22][c:23]1[c:24]2[cH:25][n:26][nH:27][c:28](=[O:33])[c:29]2[cH:30][cH:31][cH:32]1.[Ti+4:41]>>[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]2[c:5]([cH:6][cH:7]1)[CH:11]([NH:22][c:23]1[c:24]3[cH:25][n:26][nH:27][c:28](=[O:33])[c:29]3[cH:30][cH:31][cH:32]1)[C:10]([C:13]([F:14])([F:15])[F:16])([OH:17])[CH2:9][C:8]2([CH3:18])[CH3:19]

Participants

6

Reactant 5

HCID 312Chloride4×HCID 6344DichloromethaneHCID 114942Titanium cation (4+)HCID 123410025-amino-1(2H)-phthalazinoneHCID 179891374-(3-Chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal

Product 1

HCID 686789355-{[6-Chloro-4,4-dimethyl-5-methoxy-2-hydroxy-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-phthalazin-1-one

Sources & evidence

ORD record
ord-ade0ff3b5ddb46c0a5a4070bb10d6249
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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