1,8-Diazabicyclo(5.4.0)undec-7-ene → 5-(Methylthio)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]pentanenitrile

HRID 195121

Reaction equation

HRID 195121 reaction equation
[CH2:31]1[CH2:32][CH2:33][C:34]2=[N:39][CH2:38][CH2:37][CH2:36][N:35]2[CH2:40][CH2:41]1.[CH3:23][S:24][CH2:25][CH2:26][CH:27]=[CH:28][C:29]#[N:30].[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([CH:27]([CH2:26][CH2:25][S:24][CH3:23])[CH2:28][C:29]#[N:30])[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

4

Reactant 3

HCID 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 913605645-Methylsulfanylpent-2-enenitrile

Product 1

HCID 574776485-(Methylthio)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]pentanenitrile

Sources & evidence

ORD record
ord-22a50d12838f46a09b6a0edb774d47eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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