1,2-Dichloroethane → [2-[C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxycarbonimidoyl]phenyl] 3-[3-(trifluoromethyl)phenyl]but-2-enoate

HRID 674649Notes

Reaction equation

HRID 674649 reaction equation
[CH3:21][O:22][N:23]=[C:24]([c:25]1[c:26]([OH:31])[cH:27][cH:28][cH:29][cH:30]1)[C:32]1=[N:33][O:34][CH2:35][CH2:36][O:37]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:46][CH2:47][CH2:48][Cl:49].[F:1][C:2]([c:3]1[cH:4][c:5]([C:9](=[CH:10][C:11](=[O:12])[OH:13])[CH3:14])[cH:6][cH:7][cH:8]1)([F:15])[F:16].[H-:38].[Na+:39].[OH2:45].[S:17]([Cl:18])([Cl:19])=[O:20]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:9](=[CH:10][C:11](=[O:12])[O:13][c:26]2[c:25]([C:24](=[N:23][O:22][CH3:21])[C:32]3=[N:33][O:34][CH2:35][CH2:36][O:37]3)[cH:30][cH:29][cH:28][cH:27]2)[CH3:14])[cH:6][cH:7][cH:8]1)([F:15])[F:16]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 166653HydrideHCID 57073672CID 57073672HCID 136030529(5,6-dihydro-1,4,2-dioxazin-3-yl)-(2-hydroxy-phenyl)-methanone O-methyl-oxime

Product 1

HCID 72608905[2-[C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxycarbonimidoyl]phenyl] 3-[3-(trifluoromethyl)phenyl]but-2-enoate

Sources & evidence

ORD record
ord-08ce8bb1480f484db23dfad395fae5ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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