Ethylenediamine → Trifluoroacetic acid

HRID 134619Notes

Reaction equation

HRID 134619 reaction equation
[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][C:8]([CH2:10][F:11])([n:12]2[n:13][cH:14][c:15](-[c:17]3[c:18]4[c:19]([n:20][cH:21][n:22]3)[n:23]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][cH:25]4)[cH:16]2)[CH2:9]1.[F:34][C:35]([C:36](=[O:37])[OH:38])([F:39])[F:40].[NH2:41][CH2:42][CH2:43][NH2:44]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][C:8]([CH2:10][F:11])([n:12]2[n:13][cH:14][c:15](-[c:17]3[c:18]4[c:19]([n:20][cH:21][n:22]3)[nH:23][cH:24][cH:25]4)[cH:16]2)[CH2:9]1.[F:34][C:35]([C:36](=[O:37])[OH:38])([F:39])[F:40]

Participants

5

Reactant 3

HCID 3301EthylenediamineHCID 6422Trifluoroacetic acidHCID 668242874-{1-[1-(ethylsulfonyl)-3-(fluoromethyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine

Product 2

HCID 6422Trifluoroacetic acidHCID 442323624-{1-[1-(ethylsulfonyl)-3-(fluoromethyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-a56781d85fbf4fc294baed1002a4cc0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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