Acetonitrile → Hydrochloric Acid

HRID 291366Notes

Reaction equation

HRID 291366 reaction equation
[CH3:27][C:28]#[N:29].[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][C:35]1=[O:36].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:12][CH2:13][CH2:14][CH2:15][Cl:16])[cH:9][cH:10][c:11]12.[NH2:17][c:18]1[n:19][nH:20][c:21]([CH2:23][C:24](=[O:25])[OH:26])[cH:22]1>>[ClH:1].[c:2]1([NH:17][c:18]2[n:19][nH:20][c:21]([CH2:23][C:24](=[O:25])[OH:26])[cH:22]2)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:12][CH2:13][CH2:14][CH2:15][Cl:16])[cH:9][cH:10][c:11]12

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 13387N-methyl-2-pyrrolidoneHCID 16221512(5-Amino-2H-pyrazol-3-yl)-acetic acidHCID 162215144-Chloro-7-(3-chloropropoxy)quinazoline

Product 2

HCID 313Hydrochloric AcidHCID 162214512-(5-((7-(3-Chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)acetic acid

Sources & evidence

ORD record
ord-d9b8a7ada2ba4985bd2dfd7442fa820f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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