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

HRID 1547416Notes

Reaction equation

HRID 1547416 reaction equation
[C:1](#[N:2])[CH:3]=[C:4]1[CH2:5][N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]1.[CH2:37]1[CH2:38][CH2:39][C:40]2=[N:45][CH2:44][CH2:43][CH2:42][N:41]2[CH2:46][CH2:47]1.[CH3:48][C:49]#[N:50].[nH:15]1[n:16][cH:17][c:18](-[c:20]2[c:21]3[c:22]([n:23][cH:24][n:25]2)[n:26]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[cH:27][cH:28]3)[cH:19]1>>[C:1](#[N:2])[CH2:3][C:4]1([n:15]2[n:16][cH:17][c:18](-[c:20]3[c:21]4[c:22]([n:23][cH:24][n:25]3)[n:26]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[cH:27][cH:28]4)[cH:19]2)[CH2:5][N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]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 457892161-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine

Product 1

HCID 57868843tert-Butyl 3-(cyanomethyl)-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate

Sources & evidence

ORD record
ord-f6ec38b7ccb84604acbabe597006ce0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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