Cyclopropylamine → 5-{2-[(6-chloroquinolin-4-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-cyclopropyl-1-methyl-1H-pyrrole-3-carboxamide

HRID 91267Notes

Reaction equation

HRID 91267 reaction equation
[C:42]([P:43](=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50])#[N:51].[CH:38]1([NH2:41])[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:12][n:13]3[n:14][c:15]4[n:16]([CH2:34][CH:35]([CH3:36])[CH3:37])[c:17](=[O:33])[n:18]([CH3:32])[c:19](=[O:31])[c:20]4[c:21]3-[c:22]3[cH:23][c:24]([C:28](=[O:29])[OH:30])[cH:25][n:26]3[CH3:27])[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:12][n:13]3[n:14][c:15]4[n:16]([CH2:34][CH:35]([CH3:36])[CH3:37])[c:17](=[O:33])[n:18]([CH3:32])[c:19](=[O:31])[c:20]4[c:21]3-[c:22]3[cH:23][c:24]([C:28](=[O:30])[NH:41][CH:38]4[CH2:39][CH2:40]4)[cH:25][n:26]3[CH3:27])[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 69828CyclopropylamineHCID 76257Diethyl cyanophosphonateHCID 58981061HCID 58981061, compound

Product 1

HCID 589811745-{2-[(6-chloroquinolin-4-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-cyclopropyl-1-methyl-1H-pyrrole-3-carboxamide

Sources & evidence

ORD record
ord-51c8d37f38254a35b71f8899c3211e66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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