Bromoacetonitrile → [2-[(6-chloroquinolin-4-yl)methyl]-7-isobutyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-4,6-dioxo-2,4,6,7-tetrahydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile

HRID 1152353Notes

Reaction equation

HRID 1152353 reaction equation
[Br:34][CH2:35][C:36]#[N:37].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:12][n:13]3[n:14][c:15]4[n:16]([CH2:30][CH:31]([CH3:32])[CH3:33])[c:17](=[O:29])[nH:18][c:19](=[O:28])[c:20]4[c:21]3-[c:22]3[n:23][n:24][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]([CH2:30][CH:31]([CH3:32])[CH3:33])[c:17](=[O:29])[n:18]([CH2:35][C:36]#[N:37])[c:19](=[O:28])[c:20]4[c:21]3-[c:22]3[n:23][n:24][cH:25][n:26]3[CH3:27])[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

3

Reactant 2

HCID 11534BromoacetonitrileHCID 589810832-[(6-chloroquinolin-4-yl)methyl]-7-isobutyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Product 1

HCID 58980901[2-[(6-chloroquinolin-4-yl)methyl]-7-isobutyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-4,6-dioxo-2,4,6,7-tetrahydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile

Sources & evidence

ORD record
ord-37f5026ba45947d5afe03f12c5dae422
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…