Toluene → {4-[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridine-3-carbonyl]-3,4-dihydro-2H-quinoxalin-1-yl}-acetic acid ethyl ester

HRID 1562936Notes

Reaction equation

HRID 1562936 reaction equation
[CH2:29]([CH3:30])[O:31][C:32]([CH:33]=[O:34])=[O:35].[CH2:43]([Sn:44]([Cl:45])([Cl:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][c:8]([F:23])[cH:9][c:10]2[C:11](=[O:12])[N:13]2[CH2:14][CH2:15][NH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:24][c:25]([Cl:28])[cH:26][cH:27]1.[c:54]1([SiH3:55])[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][c:8]([F:23])[cH:9][c:10]2[C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH2:33][C:32]([O:31][CH2:29][CH3:30])=[O:35])[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:24][c:25]([Cl:28])[cH:26][cH:27]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 12688Dibutyltin dichlorideHCID 12752PhenylsilaneHCID 70211Ethyl oxoacetateHCID 59294514[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridin-3-yl]-(3,4-dihydro-2H-quinoxalin-1-yl)-methanone

Product 1

HCID 59294509{4-[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridine-3-carbonyl]-3,4-dihydro-2H-quinoxalin-1-yl}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-7ca53d9bcca947d590df6c4097639272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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