Pyrazine, 2-(chloromethyl)- → 3-(3-Methylisoxazol-5-yl)-6-(pyrazin-2-yl)methyloxy-1,2,4-triazolo[3,4-a]phthalazine

HRID 214866Notes

Reaction equation

HRID 214866 reaction equation
[CH3:21][c:22]1[cH:23][c:24](-[c:25]2[n:26]3[n:27][c:28]([O:29][CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][n:36]4)[c:37]4[c:38]([c:39]3[n:40][n:41]2)[cH:42][cH:43][cH:44][cH:45]4)[o:46][n:47]1.[Cl:48][CH2:49][c:50]1[n:51][cH:52][cH:53][n:54][cH:55]1.[OH:1][c:2]1[n:3][n:4]2[c:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[n:12][n:13][c:14]2-[c:15]1[cH:16][c:17]([CH3:20])[n:18][o:19]1>>[O:1]([c:2]1[n:3][n:4]2[c:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[n:12][n:13][c:14]2-[c:15]1[cH:16][c:17]([CH3:20])[n:18][o:19]1)[CH2:49][c:50]1[n:51][cH:52][cH:53][n:54][cH:55]1

Participants

4

Reactant 3

HCID 170169Pyrazine, 2-(chloromethyl)-HCID 183618903-(3-Methylisoxazol-5-yl)-6-(2-pyridyl)methyloxy-1,2,4-triazolo[3,4-a]phthalazineHCID 1784235156-Hydroxy-3-(3-methylisoxazol-5-yl)-1,2,4-triazolo[3,4-a]phthalazine

Product 1

HCID 183618583-(3-Methylisoxazol-5-yl)-6-(pyrazin-2-yl)methyloxy-1,2,4-triazolo[3,4-a]phthalazine

Sources & evidence

ORD record
ord-f658eed7c28a431eb828b518fa35ac3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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