Water → 3-[5-(diethoxymethyl)-3-thienyl]-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

HRID 136641Notes

Reaction equation

HRID 136641 reaction equation
[CH2:23]([CH3:24])[O:25][CH:26]([c:27]1[cH:28][c:29]([CH:32]=[CH:33][C:34]#[N:35])[cH:30][s:31]1)[O:36][CH2:37][CH3:38].[CH2:39]1[CH2:40][CH2:41][C:42]2=[N:47][CH2:46][CH2:45][CH2:44][N:43]2[CH2:48][CH2:49]1.[OH2:50].[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:32]([c:29]2[cH:28][c:27]([CH:26]([O:25][CH2:23][CH3:24])[O:36][CH2:37][CH3:38])[s:31][cH:30]2)[CH2:33][C:34]#[N:35])[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 962WaterHCID 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 66597857HCID 66597857, compound

Product 1

HCID 574778873-[5-(diethoxymethyl)-3-thienyl]-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

Sources & evidence

ORD record
ord-1902147062e9438b9aa45f2804923150
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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