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

HRID 204441Notes

Reaction equation

HRID 204441 reaction equation
[C:1](#[N:2])[CH:3]=[C:4]1[CH2:5][C:6]([C:8](=[O:9])[O:10][CH:11]([CH3:12])[CH3:13])([C:14](=[O:15])[O:16][CH:17]([CH3:18])[CH3:19])[CH2:7]1.[CH3:53][C:54]#[N:55].[N:42]12[CH2:43][CH2:44][CH2:45][N:46]=[C:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2.[nH:20]1[n:21][cH:22][c:23](-[c:25]2[c:26]3[c:27]([n:28][cH:29][n:30]2)[n:31]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[cH:32][cH:33]3)[cH:24]1>>[C:1](#[N:2])[CH2:3][C:4]1([n:20]2[n:21][cH:22][c:23](-[c:25]3[c:26]4[c:27]([n:28][cH:29][n:30]3)[n:31]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[cH:32][cH:33]4)[cH:24]2)[CH2:5][C:6]([C:8](=[O:9])[O:10][CH:11]([CH3:12])[CH3:13])([C:14](=[O:15])[O:16][CH:17]([CH3:18])[CH3:19])[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 66823993Diisopropyl 3-(cyanomethylene)cyclobutane-1,1-dicarboxylate

Product 1

HCID 67279569diisopropyl 3-(cyanomethyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]cyclobutane-1,1-dicarboxylate

Sources & evidence

ORD record
ord-8f53361b9e8c4c31a3787a64a0cc32ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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