Chloride → 7-[1-(4Chloro-2-nitrophenoxy)ethyl]-1,2,4-triazolo[1,5-a]pyrimidine

HRID 682127Notes

Reaction equation

HRID 682127 reaction equation
[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl-:57].[Cl-:59].[Cl:46][c:47]1[cH:48][c:49]([N+:54](=[O:55])[O-:56])[c:50]([OH:53])[cH:51][cH:52]1.[Mg+2:58].[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[n:15]1[cH:16][n:17][c:18]2[n:19]1[c:20]([CH:24]([CH3:25])[OH:26])[cH:21][cH:22][n:23]2>>[n:15]1[cH:16][n:17][c:18]2[n:19]1[c:20]([CH:24]([CH3:25])[O:26][c:50]1[c:49]([N+:54](=[O:55])[O-:56])[cH:48][c:47]([Cl:46])[cH:52][cH:51]1)[cH:21][cH:22][n:23]2

Participants

8

Reactant 7

HCID 312Chloride2×HCID 888Magnesium CationHCID 1140TolueneHCID 69804-Chloro-2-nitrophenolHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 109208511-(1,2,4-Triazolo[1,5-a]pyrimidin-7-yl)ethanol

Product 1

HCID 220008327-[1-(4Chloro-2-nitrophenoxy)ethyl]-1,2,4-triazolo[1,5-a]pyrimidine

Sources & evidence

ORD record
ord-815ffd3e11d64aec8ae4f71a8a7f4ea3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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