Acetonitrile → HCID 71087171, compound

HRID 2318214Notes

Reaction equation

HRID 2318214 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[n:7][c:8]([NH2:21])[c:9]2[n:10][c:11]([O:19][CH3:20])[n:12]([CH2:15][CH2:16][CH2:17][Cl:18])[c:13]2[n:14]1.[CH3:40][C:41]#[N:42].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[N:31]1([CH2:37][CH2:38][OH:39])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[n:7][c:8]([NH2:21])[c:9]2[n:10][c:11]([O:19][CH3:20])[n:12]([CH2:15][CH2:16][CH2:17][N:34]3[CH2:33][CH2:32][N:31]([CH2:37][CH2:38][OH:39])[CH2:36][CH2:35]3)[c:13]2[n:14]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 76771-(2-Hydroxyethyl)piperazineHCID 81531DiisopropylethylamineHCID 592526379-(3-Chloropropyl)-2-butoxy-8-methoxy-9H-purin-6-amine

Product 1

HCID 71087171HCID 71087171, compound

Sources & evidence

ORD record
ord-5cd22e397f194d82a528541e2ac87dc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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