O-Xylene → HCID 178493642, compound

HRID 149748Notes

Reaction equation

HRID 149748 reaction equation
[CH3:42][CH:43]([CH3:44])[O-:45].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:54][CH:55]([CH3:56])[O-:57].[F:1][c:2]1[c:3]([O:19][CH3:20])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH3:18])[cH:5][cH:6][cH:7]1.[NH2:21][c:22]1[c:23]2[cH:24][cH:25][c:26](=[O:33])[nH:27][c:28]2[c:29]([F:32])[cH:30][cH:31]1.[Ti+4:58].[c:34]1([CH3:35])[c:36]([CH3:37])[cH:38][cH:39][cH:40][cH:41]1>>[F:1][c:2]1[c:3]([O:19][CH3:20])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[N:21][c:22]2[c:23]3[cH:24][cH:25][c:26](=[O:33])[nH:27][c:28]3[c:29]([F:32])[cH:30][cH:31]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH3:18])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 7237O-XyleneHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 179891895-amino-8-fluoroquinolin-2(1H)-oneHCID 179892884-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal

Product 1

HCID 178493642HCID 178493642, compound

Sources & evidence

ORD record
ord-2d6e6717111e44fb9e7bba040fbc391b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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