Potassium Cation → Nvp-abj688

HRID 1557078Notes

Reaction equation

HRID 1557078 reaction equation
[Cl:1][c:2]1[n:3][c:4]([NH:16][c:17]2[c:18]([O:23][CH2:24][CH2:25][CH2:26][N:27]3[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[cH:19][cH:20][cH:21][cH:22]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[n:10]1.[I-:38].[K+:37].[Na:34][C:35]#[N:36].[OH2:39]>>[c:2]1([C:35]#[N:36])[n:3][c:4]([NH:16][c:17]2[c:18]([O:23][CH2:24][CH2:25][CH2:26][N:27]3[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[cH:19][cH:20][cH:21][cH:22]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[n:10]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 962WaterHCID 30165Iodide IonHCID 11784673(2-Chloro-9-cyclopentyl-purin-6-yl)-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-amineHCID 178511850HCID 178511850, compound

Product 1

HCID 5288618Nvp-abj688

Sources & evidence

ORD record
ord-2d11eb08ea1645889cbe3cb4b2e40b1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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