Titanium cation (4+) → HCID 178447127, compound

HRID 1559647Notes

Reaction equation

HRID 1559647 reaction equation
[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[Cl:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:9]([CH2:10][C:11]([CH:12]=[O:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[CH2:19][CH3:20])[cH:5][cH:6][c:7]1[F:8].[NH2:23][c:24]1[c:25]2[cH:26][cH:27][c:28](=[O:35])[nH:29][c:30]2[c:31]([F:34])[cH:32][cH:33]1.[Ti+4:41]>>[Cl:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:9]([CH2:10][C:11]([CH:12]=[N:23][c:24]2[c:25]3[cH:26][cH:27][c:28](=[O:35])[nH:29][c:30]3[c:31]([F:34])[cH:32][cH:33]2)([C:14]([F:15])([F:16])[F:17])[OH:18])[CH2:19][CH3:20])[cH:5][cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 114942Titanium cation (4+)HCID 45749132-Methylpropan-2-olate4×HCID 179891895-amino-8-fluoroquinolin-2(1H)-oneHCID 866153364-(3-Chloro-4-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexanal

Product 1

HCID 178447127HCID 178447127, compound

Sources & evidence

ORD record
ord-206897c85c214cdc86a98f0b5d853733
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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