Chloride → HCID 10392180, compound

HRID 142988Notes

Reaction equation

HRID 142988 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[C:37]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[CH2:45].[CH2:1]([Cl:2])[Cl:3].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl-:46].[Cl-:47].[Cl-:48].[Cl-:49].[F:9][c:10]1[cH:11][c:12]2[c:13](=[O:29])[c:14]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:15][n:16]([NH:22][CH3:23])[c:17]2[c:18]([F:21])[c:19]1[F:20].[O:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1.[OH2:51].[Ti+4:50]>>[F:9][c:10]1[cH:11][c:12]2[c:13](=[O:29])[c:14]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:15][n:16]([N:22]([CH3:23])[CH2:45][CH:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[c:17]2[c:18]([F:21])[c:19]1[F:20]

Participants

9

Reactant 8

HCID 312Chloride4×HCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 114942Titanium cation (4+)HCID 11096368Propanedioic acid, methylene-, bis(1,1-dimethylethyl) esterHCID 11098599Ethyl 6,7,8-trifluoro-1-(methylamino)-4-oxo-1,4-dihydroquinoline-3-carboxylate

Product 1

HCID 10392180HCID 10392180, compound

Sources & evidence

ORD record
ord-20a0e9fc03174f77a595b6df8051b4b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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