Phosphoric Acid → Phosphoric Acid

HRID 105974Notes

Reaction equation

HRID 105974 reaction equation
[CH3:32][CH:33]([OH:34])[CH3:35].[Cl:29][CH2:30][Cl:31].[P:24]([OH:25])([OH:26])([OH:27])=[O:28].[n:1]1[cH:2][n:3][c:4](-[c:10]2[cH:11][n:12][n:13]([CH:15]([CH2:16][C:17]#[N:18])[CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:14]2)[c:5]2[c:6]1[nH:7][cH:8][cH:9]2>>[P:24](=[O:25])([OH:26])([OH:27])[OH:28].[n:1]1[cH:2][n:3][c:4](-[c:10]2[cH:11][n:12][n:13]([CH:15]([CH2:16][C:17]#[N:18])[CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:14]2)[c:5]2[c:6]1[nH:7][cH:8][cH:9]2

Participants

6

Reactant 4

HCID 1004Phosphoric AcidHCID 3776IsopropanolHCID 6344DichloromethaneHCID 177547723-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile

Product 2

HCID 1004Phosphoric AcidHCID 177547723-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile

Sources & evidence

ORD record
ord-9859653052d544cdbfb21353a8bb43c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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