Water → HCID 178426371, compound

HRID 662330Notes

Reaction equation

HRID 662330 reaction equation
[CH3:18][c:19]1[n:20][nH:21][c:22]([CH3:24])[cH:23]1.[CH3:25][C:26]#[N:27].[Cl:1][c:2]1[n:3][c:4]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][nH:8][c:9]2[n:10]1.[OH2:28]>>[c:2]1(-[n:20]2[c:19]([CH3:18])[cH:23][c:22]([CH3:24])[n:21]2)[n:3][c:4]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][nH:8][c:9]2[n:10]1

Participants

5

Reactant 4

HCID 962WaterHCID 62103,5-DimethylpyrazoleHCID 6342AcetonitrileHCID 178478389HCID 178478389, compound

Product 1

HCID 178426371HCID 178426371, compound

Sources & evidence

ORD record
ord-8f7b1d545b88482b948fcdde09552953
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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