Ammonium → (4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-amino-phenyl)methanone

HRID 121041Notes

Reaction equation

HRID 121041 reaction equation
[CH2:30]1[O:31][CH2:32][CH2:33][O:34][CH2:35]1.[CH3:36][CH2:37][OH:38].[Cl-:27].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1)[cH:9][c:10]2[C:11](=[O:12])[c:13]1[cH:14][c:15]([N+:19]([O-:20])=[O:21])[cH:16][cH:17][cH:18]1.[NH4+:28].[OH2:29]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1)[cH:9][c:10]2[C:11](=[O:12])[c:13]1[cH:14][c:15]([NH2:19])[cH:16][cH:17][cH:18]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 312751,4-DioxaneHCID 11859043(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-nitro-phenyl)methanone

Product 1

HCID 11859044(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-amino-phenyl)methanone

Sources & evidence

ORD record
ord-4f732cdf0dc04fedb0f0a8d0079e16aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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