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

HRID 1558990Notes

Reaction equation

HRID 1558990 reaction equation
[C:23](#[N:24])[CH:25]=[C:26]1[CH2:27][CH:28]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:29]1.[CH3:46][C:47]#[N:48].[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]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:26]2([CH2:25][C:23]#[N:24])[CH2:27][CH:28]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:29]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 57868872Ethyl 3-(cyanomethylene)cyclobutanecarboxylate

Product 1

HCID 57868857ethyl 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-84a0bce25b274eb4948038b104be4080
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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