1,2-Dichloroethane → Diethyl (4-{[4-chloro-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

HRID 1212796Notes

Reaction equation

HRID 1212796 reaction equation
[C:42]([OH:43])([CH3:44])([CH3:45])[CH3:46].[CH2:13]([CH3:14])[O:15][P:16]([O:17][CH2:18][CH3:19])(=[O:20])[CH2:21][c:22]1[cH:23][c:24]([O:29][CH3:30])[c:25]([NH2:28])[cH:26][cH:27]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl-:47].[Cl-:48].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([Cl:8])[n:7]1.[Cl:38][CH2:39][CH2:40][Cl:41].[Zn+2:49]>>[c:2]1([NH:28][c:25]2[c:24]([O:29][CH3:30])[cH:23][c:22]([CH2:21][P:16]([O:15][CH2:13][CH3:14])([O:17][CH2:18][CH3:19])=[O:20])[cH:27][cH:26]2)[n:3][cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([Cl:8])[n:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 312Chloride2×HCID 6386tert-ButanolHCID 8471TriethylamineHCID 32051Zinc(2+)HCID 27827742,4-Dichloro-5-(trifluoromethyl)pyrimidineHCID 86653997Diethyl(4-amino-3-methoxybenzyl)phosphonate

Product 1

HCID 86654002Diethyl (4-{[4-chloro-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Sources & evidence

ORD record
ord-9c62a1e92659423ea71cf9a8db209f0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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