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Titanium cation (4+) → 5-{[4-(4-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentylidene]-amino}quinolin-2(1H)-one

HRID 89249
Notes
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Reaction equation

HRID 89249 reaction equation
[CH3:34][CH2:35][O-:36].[CH3:37][CH2:38][O-:39].[CH3:40][CH2:41][O-:42].[CH3:43][CH2:44][O-:45].[Cl:1][c:2]1[c:3]([F:21])[c:4]([O:19][CH3:20])[c:5]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH3:18])[cH:6][cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][c:27](=[O:33])[nH:28][c:29]2[cH:30][cH:31][cH:32]1.[Ti+4:46]>>[Cl:1][c:2]1[c:3]([F:21])[c:4]([O:19][CH3:20])[c:5]([CH:8]([CH2:9][C:10]([CH:11]=[N:22][c:23]2[c:24]3[cH:25][cH:26][c:27](=[O:33])[nH:28][c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH3:18])[cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 114942Titanium cation (4+)HCID 1194401-Hydroxyethyl radical4×HCID 157190785-Amino-1,2-dihydroquinolin-2-oneHCID 866153194-(4-Chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal

Product 1

HCID 669694775-{[4-(4-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentylidene]-amino}quinolin-2(1H)-one

Sources & evidence

ORD record
ord-a0735dff85d74fadaee48a6b093ae798
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes