Acetate → {2-[5-(4-hydroxy-piperidine-1-carbonyl)-thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl}-(1-methyl-cyclohexyl)-methanone

HRID 2330919Notes

Reaction equation

HRID 2330919 reaction equation
[C:44]([O-:45])(=[O:46])[CH3:47].[Cl:49][CH2:50][Cl:51].[Na+:48].[OH2:41].[OH2:42].[OH2:43].[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13](-[c:15]3[n:16][c:17]4[c:18]([n:19][cH:20]3)[n:21]([CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[cH:22][c:23]4[C:24](=[O:25])[C:26]3([CH3:32])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[s:14]2)[CH2:6][CH2:7]1.[OH:52][C:53]([C:54]([F:55])([F:56])[F:57])=[O:58]>>[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13](-[c:15]3[n:16][c:17]4[c:18]([n:19][cH:20]3)[nH:21][cH:22][c:23]4[C:24](=[O:25])[C:26]3([CH3:32])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[s:14]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 923Sodium ionHCID 962Water3×HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 57829606[2-[5-(4-hydroxy-piperidine-1-carbonyl)-thiophen-2-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methyl-cyclohexyl)-methanone

Product 1

HCID 57829623{2-[5-(4-hydroxy-piperidine-1-carbonyl)-thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl}-(1-methyl-cyclohexyl)-methanone

Sources & evidence

ORD record
ord-0186dfbc58244d1cadb81b651a655e72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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