Acetonitrile → methyl 3-(cyanomethyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]cyclobutanecarboxylate

HRID 125755Notes

Reaction equation

HRID 125755 reaction equation
[C:26](#[N:27])[CH:28]=[C:29]1[CH2:30][CH:31]([C:33](=[O:34])[O:35][CH3:36])[CH2:32]1.[CH3:23][C:24]#[N:25].[N:37]12[CH2:38][CH2:39][CH2:40][N:41]=[C:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2.[nH:1]1[n:2][cH:3][c:4](-[c:6]2[c:7]3[c:8]([n:9][cH:10][n:11]2)[n:12]([CH2:15][O:16][CH2:17][CH2:18][Si:19]([CH3:20])([CH3:21])[CH3:22])[cH:13][cH:14]3)[cH:5]1>>[n:1]1([C:29]2([CH2:28][C:26]#[N:27])[CH2:30][CH:31]([C:33](=[O:34])[O:35][CH3:36])[CH2:32]2)[n:2][cH:3][c:4](-[c:6]2[c:7]3[c:8]([n:9][cH:10][n:11]2)[n:12]([CH2:15][O:16][CH2:17][CH2:18][Si:19]([CH3:20])([CH3:21])[CH3:22])[cH:13][cH:14]3)[cH:5]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 426313464-(1H-Pyrazol-4-yl)-7-(2-(trimethylsilyl)ethoxy)methyl-7 H-pyrrolo(2,3-d)-pyrimidineHCID 45090084Methyl 3-(cyanomethylene)cyclobutanecarboxylate

Product 1

HCID 67017201methyl 3-(cyanomethyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]cyclobutanecarboxylate

Sources & evidence

ORD record
ord-50ee8b89f9574e06abdf17e81ec72657
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…