Tetrahydrofuran → 3-(4-fluorophenyl)-1-(5-(2,3,4,5-tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)pyridin-2-yl)-1-((tetrahydrofuran-2-yl)methyl)urea

HRID 679736Notes

Reaction equation

HRID 679736 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[F:31][c:32]1[cH:33][cH:34][c:35]([N:38]=[C:39]=[O:40])[cH:36][cH:37]1.[O:1]1[CH:2]([CH2:6][NH:7][c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][c:16]4[n:17]([CH2:28][CH2:29][CH3:30])[c:18](=[O:27])[n:19]([CH2:24][CH2:25][CH3:26])[c:20](=[O:23])[c:21]4[nH:22]3)[cH:12][n:13]2)[CH2:3][CH2:4][CH2:5]1>>[O:1]1[CH:2]([CH2:6][N:7]([c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][c:16]4[n:17]([CH2:28][CH2:29][CH3:30])[c:18](=[O:27])[n:19]([CH2:24][CH2:25][CH3:26])[c:20](=[O:23])[c:21]4[nH:22]3)[cH:12][n:13]2)[C:39]([NH:38][c:35]2[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]2)=[O:40])[CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 8028TetrahydrofuranHCID 709554-Fluorophenyl isocyanateHCID 598566296-(6-((Tetrahydrofuran-2-yl)methylamino)pyridin-3-yl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione

Product 1

HCID 248160963-(4-fluorophenyl)-1-(5-(2,3,4,5-tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)pyridin-2-yl)-1-((tetrahydrofuran-2-yl)methyl)urea

Sources & evidence

ORD record
ord-806207a191bb4ad9a1d78f7ec17d551b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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