Chloride → 5-{[2-Hydroxy-5-methoxy-2-(trifluoromethyl)-4,4,7-trimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-phthalazin-1-one

HRID 122905Notes

Reaction equation

HRID 122905 reaction equation
[CH3:1][O:2][c:3]1[c:4]([C:10]([CH2:11][C:12]([CH:13]=[O:14])([C:15]([F:16])([F:17])[F:18])[OH:19])([CH3:20])[CH3:21])[cH:5][cH:6][c:7]([CH3:9])[cH:8]1.[Cl-:37].[Cl-:38].[Cl-:39].[Cl-:40].[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]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([cH:6][c:7]([CH3:9])[cH:8]1)[CH:13]([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:12]([C:15]([F:16])([F:17])[F:18])([OH:19])[CH2:11][C:10]2([CH3:20])[CH3:21]

Participants

6

Reactant 5

HCID 312Chloride4×HCID 6344DichloromethaneHCID 114942Titanium cation (4+)HCID 123410025-amino-1(2H)-phthalazinoneHCID 179891274-(2-Methoxy-4-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal

Product 1

HCID 686805725-{[2-Hydroxy-5-methoxy-2-(trifluoromethyl)-4,4,7-trimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-phthalazin-1-one

Sources & evidence

ORD record
ord-6b3cc1679ea14482b0c30d3eaa9890e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…